# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Cs4Ho26Cd7Se48
_database_code_depnum_ccdc_archive 'CCDC 2034252'
loop_
_audit_author_name
_audit_author_address
'Hua Lin'
;Fujian Institute of Research on the Structure of Matter, CAS
China
;
_audit_update_record             
;
2020-09-28 deposited with the CCDC.	2020-11-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Cd7 Cs4 Ho26 Se48'
_chemical_formula_weight         9396.70

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ho Ho -0.2175 4.6783 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      tetragonal
_space_group_IT_number           88
_space_group_name_H-M_alt        'I 41/a'
_space_group_name_Hall           '-I 4ad'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-y+3/4, x+1/4, z+1/4'
'y+3/4, -x+3/4, z+3/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1/2, z+1'
'-y+5/4, x+3/4, z+3/4'
'y+5/4, -x+5/4, z+5/4'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'y-3/4, -x-1/4, -z-1/4'
'-y-3/4, x-3/4, -z-3/4'
'-x+1/2, -y+1/2, -z+1/2'
'x, y+1/2, -z'
'y-1/4, -x+1/4, -z+1/4'
'-y-1/4, x-1/4, -z-1/4'

_cell_length_a                   20.667(7)
_cell_length_b                   20.667(7)
_cell_length_c                   22.816(10)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     9746(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    11369
_cell_measurement_theta_min      3.0854
_cell_measurement_theta_max      27.4835

_exptl_crystal_description       Prism
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    6.404
_exptl_crystal_F_000             15720
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.1600
_exptl_crystal_size_min          0.1000
_exptl_absorpt_coefficient_mu    41.719
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.2768
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  Mercury70
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_detector_area_resol_mean 14.6306
_diffrn_reflns_number            30443
_diffrn_reflns_av_unetI/netI     0.0481
_diffrn_reflns_av_R_equivalents  0.0899
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.265
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_full        24.999
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measured_fraction_theta_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_point_group_measured_fraction_full 0.985
_reflns_number_total             4227
_reflns_number_gt                3730
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0571P)²+675.0809P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.0000160(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         4227
_refine_ls_number_parameters     197
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0605
_refine_ls_R_factor_gt           0.0531
_refine_ls_wR_factor_ref         0.1323
_refine_ls_wR_factor_gt          0.1264
_refine_ls_goodness_of_fit_ref   1.082
_refine_ls_restrained_S_all      1.082
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cs Cs 0.60738(6) 0.22805(6) 0.06400(6) 0.0401(3) Uani 1 1 d . . . . .
Ho1 Ho 0.25148(3) -0.00261(4) 0.06184(3) 0.0151(2) Uani 0.6661(2) 1 d . . P A 1
Cd1 Cd 0.25148(3) -0.00261(4) 0.06184(3) 0.0151(2) Uani 0.3339(2) 1 d . . P A 2
Ho2 Ho 0.48323(4) 0.15484(4) 0.30693(4) 0.0152(2) Uani 0.4488(2) 1 d . . P B 1
Cd2 Cd 0.48323(4) 0.15484(4) 0.30693(4) 0.0152(2) Uani 0.5512(2) 1 d . . P B 2
Ho3 Ho 0.17344(4) 0.11513(4) 0.18813(4) 0.0169(2) Uani 0.5690(2) 1 d . . P A 1
Cd3 Cd 0.17344(4) 0.11513(4) 0.18813(4) 0.0169(2) Uani 0.4310(2) 1 d . . P A 2
Ho4 Ho 0.21430(3) 0.30653(3) 0.18540(3) 0.01009(19) Uani 0.9060(2) 1 d . . P A
1
Cd4 Cd 0.21430(3) 0.30653(3) 0.18540(3) 0.01009(19) Uani 0.0940(2) 1 d . . P A
2
Cd5 Cd 0.5000 0.2500 -0.1250 0.0217(5) Uani 1 4 d S T P . .
Ho6 Ho 0.36959(3) 0.08510(3) -0.06035(3) 0.00868(18) Uani 1 1 d . . . . .
Ho7 Ho 0.36953(3) 0.08102(3) 0.18487(3) 0.00931(18) Uani 1 1 d . . . . .
Ho8 Ho 0.20953(3) -0.19241(3) 0.06306(3) 0.00777(18) Uani 1 1 d . . . . .
Ho9 Ho 0.55691(3) 0.04598(3) -0.06000(3) 0.00744(17) Uani 1 1 d . . . . .
Se1 Se 0.48161(6) 0.15639(6) -0.04669(7) 0.0145(3) Uani 1 1 d . . . . .
Se2 Se 0.36338(6) 0.07120(6) 0.06149(6) 0.0102(3) Uani 1 1 d . . . . .
Se3 Se 0.16998(6) 0.11342(6) 0.06030(6) 0.0090(3) Uani 1 1 d . . . . .
Se4 Se 0.32684(6) -0.11809(6) 0.06384(6) 0.0116(3) Uani 1 1 d . . . . .
Se5 Se 0.28635(6) 0.19357(6) -0.06516(5) 0.0074(3) Uani 1 1 d . . . . .
Se6 Se 0.48174(6) 0.15179(6) 0.43211(7) 0.0113(3) Uani 1 1 d . . . . .
Se7 Se 0.44193(6) -0.03120(6) -0.06366(5) 0.0068(3) Uani 1 1 d . . . . .
Se8 Se 0.48252(6) 0.15236(6) 0.18608(6) 0.0136(4) Uani 1 1 d . . . . .
Se9 Se 0.13744(6) -0.07560(6) 0.06232(6) 0.0123(3) Uani 1 1 d . . . . .
Se10 Se 0.25584(6) 0.00065(6) 0.18624(5) 0.0089(3) Uani 1 1 d . . . . .
Se11 Se 0.56131(6) 0.03985(6) 0.31162(6) 0.0129(3) Uani 1 1 d . . . . .
Se12 Se 0.28603(6) 0.19104(6) 0.18849(6) 0.0105(3) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cs Se11 3.858(2) 4_554 ?
Cs Se1 3.915(2) . ?
Cs Se1 3.933(2) 6_554 ?
Cs Se4 3.940(2) 9_655 ?
Cs Se9 3.947(2) 15_655 ?
Cs Se12 3.964(2) 6_554 ?
Cs Se5 4.017(2) 6_554 ?
Cs Se8 4.107(2) . ?
Cs Se8 4.162(2) 6_554 ?
Cs Se2 4.193(2) 6_554 ?
Cs Se7 4.194(2) 9_655 ?
Cs Cs 4.530(3) 6_554 ?
Ho1 Se2 2.7705(18) . ?
Ho1 Se9 2.7984(18) . ?
Ho1 Se10 2.8406(18) . ?
Ho1 Se4 2.8504(18) . ?
Ho1 Se10 2.8714(18) 7_444 ?
Ho1 Se3 2.9305(18) . ?
Cd1 Se2 2.7705(18) . ?
Cd1 Se9 2.7984(18) . ?
Cd1 Se10 2.8406(18) . ?
Cd1 Se4 2.8504(18) . ?
Cd1 Se10 2.8714(18) 7_444 ?
Cd1 Se3 2.9305(18) . ?
Ho2 Se8 2.758(2) . ?
Ho2 Se6 2.857(2) . ?
Ho2 Se6 2.8699(18) 16_656 ?
Ho2 Se11 2.8745(18) . ?
Ho2 Se6 2.8967(18) 11_666 ?
Ho2 Se3 2.9204(18) 8_444 ?
Ho2 Ho8 3.9298(15) 15_655 ?
Ho2 Ho7 3.9502(15) . ?
Cd2 Se8 2.758(2) . ?
Cd2 Se6 2.857(2) . ?
Cd2 Se6 2.8699(18) 16_656 ?
Cd2 Se11 2.8745(18) . ?
Cd2 Se6 2.8967(18) 11_666 ?
Cd2 Se3 2.9204(18) 8_444 ?
Ho3 Se11 2.7913(17) 10_556 ?
Ho3 Se12 2.8064(18) . ?
Ho3 Se9 2.834(2) 8_444 ?
Ho3 Se6 2.8714(18) 7_444 ?
Ho3 Se10 2.9153(17) . ?
Ho3 Se3 2.918(2) . ?
Cd3 Se11 2.7913(17) 10_556 ?
Cd3 Se12 2.8064(18) . ?
Cd3 Se9 2.834(2) 8_444 ?
Cd3 Se6 2.8714(18) 7_444 ?
Cd3 Se10 2.9153(17) . ?
Cd3 Se3 2.918(2) . ?
Ho4 Se12 2.8106(17) . ?
Ho4 Se11 2.8272(19) 7_444 ?
Ho4 Se3 2.8440(17) 12_666 ?
Ho4 Se9 2.8443(17) 12_666 ?
Ho4 Se6 2.8550(17) 7_444 ?
Ho4 Se12 2.8778(19) 13 ?
Ho4 Cs 4.6652(18) 6_554 ?
Cd4 Se12 2.8106(17) . ?
Cd4 Se11 2.8272(19) 7_444 ?
Cd4 Se3 2.8440(17) 12_666 ?
Cd4 Se9 2.8443(17) 12_666 ?
Cd4 Se6 2.8550(17) 7_444 ?
Cd4 Se12 2.8778(19) 13 ?
Cd5 Se1 2.6608(16) . ?
Cd5 Se1 2.6608(16) 6_554 ?
Cd5 Se1 2.6608(16) 11_665 ?
Cd5 Se1 2.6608(16) 16_655 ?
Ho6 Se1 2.7619(17) . ?
Ho6 Se2 2.7978(18) . ?
Ho6 Se5 2.8280(16) . ?
Ho6 Se7 2.8317(17) . ?
Ho6 Se4 2.8756(19) 7_444 ?
Ho6 Se10 2.9775(17) 7_444 ?
Ho6 Ho9 3.9549(16) . ?
Ho6 Cs 4.8156(19) 6_554 ?
Ho7 Se8 2.7618(17) . ?
Ho7 Se2 2.8251(18) . ?
Ho7 Se12 2.8557(17) . ?
Ho7 Se3 2.8648(19) 8_444 ?
Ho7 Se5 2.8680(17) 8_444 ?
Ho7 Se10 2.8777(17) . ?
Ho7 Ho8 3.9762(16) 15_655 ?
Ho7 Cs 4.8377(19) 6_554 ?
Ho8 Se8 2.7847(17) 12_656 ?
Ho8 Se7 2.8193(18) 8_444 ?
Ho8 Se9 2.8369(17) . ?
Ho8 Se5 2.8416(16) 14_545 ?
Ho8 Se11 2.8459(19) 12_656 ?
Ho8 Se4 2.8701(17) . ?
Ho8 Ho2 3.9299(15) 12_656 ?
Ho8 Ho7 3.9763(16) 12_656 ?
Ho8 Cs 4.8236(19) 9_655 ?
Ho9 Se1 2.7786(17) . ?
Ho9 Se4 2.8286(17) 9_655 ?
Ho9 Se7 2.8381(18) 9_655 ?
Ho9 Se5 2.8552(18) 16_655 ?
Ho9 Se7 2.8632(16) . ?
Ho9 Se2 2.9292(17) 9_655 ?
Se1 Cs 3.933(2) 6_554 ?
Se2 Ho9 2.9293(17) 9_655 ?
Se2 Cs 4.193(2) 6_554 ?
Se3 Cd4 2.8439(17) 15 ?
Se3 Ho4 2.8439(17) 15 ?
Se3 Ho7 2.8648(19) 7_444 ?
Se3 Ho2 2.9203(18) 7_444 ?
Se3 Cd2 2.9203(18) 7_444 ?
Se4 Ho9 2.8287(17) 9_655 ?
Se4 Ho6 2.8757(19) 8_444 ?
Se4 Cs 3.940(2) 9_655 ?
Se5 Ho8 2.8416(16) 14 ?
Se5 Ho9 2.8552(18) 11_665 ?
Se5 Ho7 2.8679(17) 7_444 ?
Se5 Cs 4.017(2) 6_554 ?
Se6 Cd4 2.8551(17) 8_444 ?
Se6 Ho4 2.8551(17) 8_444 ?
Se6 Ho2 2.8699(18) 11_666 ?
Se6 Cd2 2.8699(18) 11_666 ?
Se6 Cd3 2.8714(18) 8_444 ?
Se6 Ho3 2.8714(18) 8_444 ?
Se6 Cd2 2.8967(18) 16_656 ?
Se6 Ho2 2.8967(18) 16_656 ?
Se7 Ho8 2.8194(18) 7_444 ?
Se7 Ho9 2.8382(18) 9_655 ?
Se7 Cs 4.194(2) 9_655 ?
Se8 Ho8 2.7848(17) 15_655 ?
Se8 Cs 4.162(2) 6_554 ?
Se9 Cd3 2.834(2) 7_444 ?
Se9 Ho3 2.834(2) 7_444 ?
Se9 Cd4 2.8442(17) 15 ?
Se9 Ho4 2.8442(17) 15 ?
Se9 Cs 3.947(2) 12_656 ?
Se10 Cd1 2.8715(18) 8_444 ?
Se10 Ho1 2.8715(18) 8_444 ?
Se10 Ho6 2.9775(17) 8_444 ?
Se11 Cd3 2.7912(17) 10_656 ?
Se11 Ho3 2.7912(17) 10_656 ?
Se11 Cd4 2.8273(19) 8_444 ?
Se11 Ho4 2.8273(19) 8_444 ?
Se11 Ho8 2.8458(19) 15_655 ?
Se11 Cs 3.858(2) 3_545 ?
Se12 Cd4 2.8778(19) 13 ?
Se12 Ho4 2.8778(19) 13 ?
Se12 Cs 3.964(2) 6_554 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Se11 Cs Se1 124.06(5) 4_554 . ?
Se11 Cs Se1 125.18(5) 4_554 6_554 ?
Se1 Cs Se1 60.33(4) . 6_554 ?
Se11 Cs Se4 62.01(3) 4_554 9_655 ?
Se1 Cs Se4 62.18(4) . 9_655 ?
Se1 Cs Se4 92.07(5) 6_554 9_655 ?
Se11 Cs Se9 62.59(3) 4_554 15_655 ?
Se1 Cs Se9 117.74(4) . 15_655 ?
Se1 Cs Se9 172.11(5) 6_554 15_655 ?
Se4 Cs Se9 93.41(5) 9_655 15_655 ?
Se11 Cs Se12 63.63(3) 4_554 6_554 ?
Se1 Cs Se12 172.16(5) . 6_554 ?
Se1 Cs Se12 117.63(4) 6_554 6_554 ?
Se4 Cs Se12 125.59(4) 9_655 6_554 ?
Se9 Cs Se12 63.12(4) 15_655 6_554 ?
Se11 Cs Se5 62.63(3) 4_554 6_554 ?
Se1 Cs Se5 92.42(5) . 6_554 ?
Se1 Cs Se5 62.59(4) 6_554 6_554 ?
Se4 Cs Se5 60.05(4) 9_655 6_554 ?
Se9 Cs Se5 125.21(4) 15_655 6_554 ?
Se12 Cs Se5 92.96(5) 6_554 6_554 ?
Se11 Cs Se8 122.92(4) 4_554 . ?
Se1 Cs Se8 82.89(5) . . ?
Se1 Cs Se8 111.90(4) 6_554 . ?
Se4 Cs Se8 119.95(4) 9_655 . ?
Se9 Cs Se8 60.35(4) 15_655 . ?
Se12 Cs Se8 91.37(5) 6_554 . ?
Se5 Cs Se8 174.20(4) 6_554 . ?
Se11 Cs Se8 124.82(4) 4_554 6_554 ?
Se1 Cs Se8 111.10(4) . 6_554 ?
Se1 Cs Se8 81.97(5) 6_554 6_554 ?
Se4 Cs Se8 172.83(4) 9_655 6_554 ?
Se9 Cs Se8 92.14(5) 15_655 6_554 ?
Se12 Cs Se8 61.19(4) 6_554 6_554 ?
Se5 Cs Se8 119.72(4) 6_554 6_554 ?
Se8 Cs Se8 59.45(4) . 6_554 ?
Se11 Cs Se2 93.87(4) 4_554 6_554 ?
Se1 Cs Se2 117.46(4) . 6_554 ?
Se1 Cs Se2 57.16(3) 6_554 6_554 ?
Se4 Cs Se2 120.73(4) 9_655 6_554 ?
Se9 Cs Se2 123.89(4) 15_655 6_554 ?
Se12 Cs Se2 60.81(3) 6_554 6_554 ?
Se5 Cs Se2 60.80(3) 6_554 6_554 ?
Se8 Cs Se2 118.47(4) . 6_554 ?
Se8 Cs Se2 59.06(3) 6_554 6_554 ?
Se11 Cs Se7 91.89(4) 4_554 9_655 ?
Se1 Cs Se7 58.03(3) . 9_655 ?
Se1 Cs Se7 118.31(4) 6_554 9_655 ?
Se4 Cs Se7 61.50(3) 9_655 9_655 ?
Se9 Cs Se7 60.00(3) 15_655 9_655 ?
Se12 Cs Se7 123.06(4) 6_554 9_655 ?
Se5 Cs Se7 121.51(4) 6_554 9_655 ?
Se8 Cs Se7 58.60(3) . 9_655 ?
Se8 Cs Se7 117.96(4) 6_554 9_655 ?
Se2 Cs Se7 174.16(4) 6_554 9_655 ?
Se11 Cs Cs 178.98(4) 4_554 6_554 ?
Se1 Cs Cs 54.92(3) . 6_554 ?
Se1 Cs Cs 54.56(3) 6_554 6_554 ?
Se4 Cs Cs 116.97(3) 9_655 6_554 ?
Se9 Cs Cs 117.70(4) 15_655 6_554 ?
Se12 Cs Cs 117.38(3) 6_554 6_554 ?
Se5 Cs Cs 117.06(3) 6_554 6_554 ?
Se8 Cs Cs 57.36(3) . 6_554 ?
Se8 Cs Cs 56.19(3) 6_554 6_554 ?
Se2 Cs Cs 86.73(4) 6_554 6_554 ?
Se7 Cs Cs 87.49(4) 9_655 6_554 ?
Se2 Ho1 Se9 179.21(5) . . ?
Se2 Ho1 Se10 87.90(4) . . ?
Se9 Ho1 Se10 92.04(4) . . ?
Se2 Ho1 Se4 90.28(4) . . ?
Se9 Ho1 Se4 90.50(4) . . ?
Se10 Ho1 Se4 89.23(4) . . ?
Se2 Ho1 Se10 88.65(4) . 7_444 ?
Se9 Ho1 Se10 91.36(4) . 7_444 ?
Se10 Ho1 Se10 175.07(5) . 7_444 ?
Se4 Ho1 Se10 94.31(4) . 7_444 ?
Se2 Ho1 Se3 91.67(4) . . ?
Se9 Ho1 Se3 87.54(4) . . ?
Se10 Ho1 Se3 90.62(4) . . ?
Se4 Ho1 Se3 178.03(4) . . ?
Se10 Ho1 Se3 85.96(4) 7_444 . ?
Se2 Cd1 Se9 179.21(5) . . ?
Se2 Cd1 Se10 87.90(4) . . ?
Se9 Cd1 Se10 92.04(4) . . ?
Se2 Cd1 Se4 90.28(4) . . ?
Se9 Cd1 Se4 90.50(4) . . ?
Se10 Cd1 Se4 89.23(4) . . ?
Se2 Cd1 Se10 88.65(4) . 7_444 ?
Se9 Cd1 Se10 91.36(4) . 7_444 ?
Se10 Cd1 Se10 175.07(5) . 7_444 ?
Se4 Cd1 Se10 94.31(4) . 7_444 ?
Se2 Cd1 Se3 91.67(4) . . ?
Se9 Cd1 Se3 87.54(4) . . ?
Se10 Cd1 Se3 90.62(4) . . ?
Se4 Cd1 Se3 178.03(4) . . ?
Se10 Cd1 Se3 85.96(4) 7_444 . ?
Se8 Ho2 Se6 177.50(5) . . ?
Se8 Ho2 Se6 95.84(5) . 16_656 ?
Se6 Ho2 Se6 86.22(5) . 16_656 ?
Se8 Ho2 Se11 91.43(4) . . ?
Se6 Ho2 Se11 87.17(4) . . ?
Se6 Ho2 Se11 89.41(4) 16_656 . ?
Se8 Ho2 Se6 95.64(5) . 11_666 ?
Se6 Ho2 Se6 85.72(5) . 11_666 ?
Se6 Ho2 Se6 91.46(4) 16_656 11_666 ?
Se11 Ho2 Se6 172.76(5) . 11_666 ?
Se8 Ho2 Se3 90.69(4) . 8_444 ?
Se6 Ho2 Se3 87.30(4) . 8_444 ?
Se6 Ho2 Se3 173.25(5) 16_656 8_444 ?
Se11 Ho2 Se3 92.14(4) . 8_444 ?
Se6 Ho2 Se3 86.19(4) 11_666 8_444 ?
Se8 Ho2 Ho8 45.12(3) . 15_655 ?
Se6 Ho2 Ho8 133.42(4) . 15_655 ?
Se6 Ho2 Ho8 94.01(4) 16_656 15_655 ?
Se11 Ho2 Ho8 46.30(3) . 15_655 ?
Se6 Ho2 Ho8 140.73(4) 11_666 15_655 ?
Se3 Ho2 Ho8 91.80(3) 8_444 15_655 ?
Se8 Ho2 Ho7 44.34(3) . . ?
Se6 Ho2 Ho7 133.62(4) . . ?
Se6 Ho2 Ho7 140.16(4) 16_656 . ?
Se11 Ho2 Ho7 92.35(3) . . ?
Se6 Ho2 Ho7 91.59(4) 11_666 . ?
Se3 Ho2 Ho7 46.35(3) 8_444 . ?
Ho8 Ho2 Ho7 60.61(2) 15_655 . ?
Se8 Cd2 Se6 177.50(5) . . ?
Se8 Cd2 Se6 95.84(5) . 16_656 ?
Se6 Cd2 Se6 86.22(5) . 16_656 ?
Se8 Cd2 Se11 91.43(4) . . ?
Se6 Cd2 Se11 87.17(4) . . ?
Se6 Cd2 Se11 89.41(4) 16_656 . ?
Se8 Cd2 Se6 95.64(5) . 11_666 ?
Se6 Cd2 Se6 85.72(5) . 11_666 ?
Se6 Cd2 Se6 91.46(4) 16_656 11_666 ?
Se11 Cd2 Se6 172.76(5) . 11_666 ?
Se8 Cd2 Se3 90.69(4) . 8_444 ?
Se6 Cd2 Se3 87.30(4) . 8_444 ?
Se6 Cd2 Se3 173.25(5) 16_656 8_444 ?
Se11 Cd2 Se3 92.14(4) . 8_444 ?
Se6 Cd2 Se3 86.19(4) 11_666 8_444 ?
Se11 Ho3 Se12 179.70(5) 10_556 . ?
Se11 Ho3 Se9 89.62(4) 10_556 8_444 ?
Se12 Ho3 Se9 90.10(4) . 8_444 ?
Se11 Ho3 Se6 91.05(4) 10_556 7_444 ?
Se12 Ho3 Se6 88.84(4) . 7_444 ?
Se9 Ho3 Se6 93.86(5) 8_444 7_444 ?
Se11 Ho3 Se10 91.87(4) 10_556 . ?
Se12 Ho3 Se10 88.25(4) . . ?
Se9 Ho3 Se10 89.74(4) 8_444 . ?
Se6 Ho3 Se10 175.38(5) 7_444 . ?
Se11 Ho3 Se3 88.56(4) 10_556 . ?
Se12 Ho3 Se3 91.72(4) . . ?
Se9 Ho3 Se3 177.97(5) 8_444 . ?
Se6 Ho3 Se3 87.08(5) 7_444 . ?
Se10 Ho3 Se3 89.41(4) . . ?
Se11 Cd3 Se12 179.70(5) 10_556 . ?
Se11 Cd3 Se9 89.62(4) 10_556 8_444 ?
Se12 Cd3 Se9 90.10(4) . 8_444 ?
Se11 Cd3 Se6 91.05(4) 10_556 7_444 ?
Se12 Cd3 Se6 88.84(4) . 7_444 ?
Se9 Cd3 Se6 93.86(5) 8_444 7_444 ?
Se11 Cd3 Se10 91.87(4) 10_556 . ?
Se12 Cd3 Se10 88.25(4) . . ?
Se9 Cd3 Se10 89.74(4) 8_444 . ?
Se6 Cd3 Se10 175.38(5) 7_444 . ?
Se11 Cd3 Se3 88.56(4) 10_556 . ?
Se12 Cd3 Se3 91.72(4) . . ?
Se9 Cd3 Se3 177.97(5) 8_444 . ?
Se6 Cd3 Se3 87.08(5) 7_444 . ?
Se10 Cd3 Se3 89.41(4) . . ?
Se12 Ho4 Se11 94.05(4) . 7_444 ?
Se12 Ho4 Se3 175.73(4) . 12_666 ?
Se11 Ho4 Se3 89.34(4) 7_444 12_666 ?
Se12 Ho4 Se9 94.15(4) . 12_666 ?
Se11 Ho4 Se9 91.28(4) 7_444 12_666 ?
Se3 Ho4 Se9 88.36(4) 12_666 12_666 ?
Se12 Ho4 Se6 89.09(4) . 7_444 ?
Se11 Ho4 Se6 88.12(4) 7_444 7_444 ?
Se3 Ho4 Se6 88.43(4) 12_666 7_444 ?
Se9 Ho4 Se6 176.74(4) 12_666 7_444 ?
Se12 Ho4 Se12 89.49(4) . 13 ?
Se11 Ho4 Se12 176.46(4) 7_444 13 ?
Se3 Ho4 Se12 87.12(4) 12_666 13 ?
Se9 Ho4 Se12 88.47(4) 12_666 13 ?
Se6 Ho4 Se12 91.93(4) 7_444 13 ?
Se12 Ho4 Cs 57.87(3) . 6_554 ?
Se11 Ho4 Cs 55.69(4) 7_444 6_554 ?
Se3 Ho4 Cs 126.37(4) 12_666 6_554 ?
Se9 Ho4 Cs 57.46(3) 12_666 6_554 ?
Se6 Ho4 Cs 124.43(4) 7_444 6_554 ?
Se12 Ho4 Cs 126.74(4) 13 6_554 ?
Se12 Cd4 Se11 94.05(4) . 7_444 ?
Se12 Cd4 Se3 175.73(4) . 12_666 ?
Se11 Cd4 Se3 89.34(4) 7_444 12_666 ?
Se12 Cd4 Se9 94.15(4) . 12_666 ?
Se11 Cd4 Se9 91.28(4) 7_444 12_666 ?
Se3 Cd4 Se9 88.36(4) 12_666 12_666 ?
Se12 Cd4 Se6 89.09(4) . 7_444 ?
Se11 Cd4 Se6 88.12(4) 7_444 7_444 ?
Se3 Cd4 Se6 88.43(4) 12_666 7_444 ?
Se9 Cd4 Se6 176.74(4) 12_666 7_444 ?
Se12 Cd4 Se12 89.49(4) . 13 ?
Se11 Cd4 Se12 176.46(4) 7_444 13 ?
Se3 Cd4 Se12 87.12(4) 12_666 13 ?
Se9 Cd4 Se12 88.47(4) 12_666 13 ?
Se6 Cd4 Se12 91.93(4) 7_444 13 ?
Se1 Cd5 Se1 95.63(7) . 6_554 ?
Se1 Cd5 Se1 116.80(4) . 11_665 ?
Se1 Cd5 Se1 116.80(4) 6_554 11_665 ?
Se1 Cd5 Se1 116.80(4) . 16_655 ?
Se1 Cd5 Se1 116.80(4) 6_554 16_655 ?
Se1 Cd5 Se1 95.64(7) 11_665 16_655 ?
Se1 Ho6 Se2 88.92(5) . . ?
Se1 Ho6 Se5 95.25(4) . . ?
Se2 Ho6 Se5 95.28(4) . . ?
Se1 Ho6 Se7 90.76(4) . . ?
Se2 Ho6 Se7 87.91(4) . . ?
Se5 Ho6 Se7 173.24(4) . . ?
Se1 Ho6 Se4 98.82(5) . 7_444 ?
Se2 Ho6 Se4 170.15(5) . 7_444 ?
Se5 Ho6 Se4 90.10(4) . 7_444 ?
Se7 Ho6 Se4 85.91(4) . 7_444 ?
Se1 Ho6 Se10 174.93(5) . 7_444 ?
Se2 Ho6 Se10 86.05(4) . 7_444 ?
Se5 Ho6 Se10 85.84(4) . 7_444 ?
Se7 Ho6 Se10 88.45(4) . 7_444 ?
Se4 Ho6 Se10 86.12(4) 7_444 7_444 ?
Se1 Ho6 Ho9 44.62(3) . . ?
Se2 Ho6 Ho9 91.26(3) . . ?
Se5 Ho6 Ho9 139.26(3) . . ?
Se7 Ho6 Ho9 46.35(3) . . ?
Se4 Ho6 Ho9 90.02(3) 7_444 . ?
Se10 Ho6 Ho9 134.79(3) 7_444 . ?
Se1 Ho6 Cs 54.75(3) . 6_554 ?
Se2 Ho6 Cs 60.09(4) . 6_554 ?
Se5 Ho6 Cs 56.45(3) . 6_554 ?
Se7 Ho6 Cs 130.11(3) . 6_554 ?
Se4 Ho6 Cs 129.55(4) 7_444 6_554 ?
Se10 Ho6 Cs 122.62(3) 7_444 6_554 ?
Ho9 Ho6 Cs 93.78(2) . 6_554 ?
Se8 Ho7 Se2 94.95(4) . . ?
Se8 Ho7 Se12 94.91(4) . . ?
Se2 Ho7 Se12 93.37(4) . . ?
Se8 Ho7 Se3 91.79(4) . 8_444 ?
Se2 Ho7 Se3 173.17(5) . 8_444 ?
Se12 Ho7 Se3 87.15(4) . 8_444 ?
Se8 Ho7 Se5 90.02(4) . 8_444 ?
Se2 Ho7 Se5 87.88(4) . 8_444 ?
Se12 Ho7 Se5 174.78(4) . 8_444 ?
Se3 Ho7 Se5 91.01(4) 8_444 8_444 ?
Se8 Ho7 Se10 176.78(4) . . ?
Se2 Ho7 Se10 86.14(4) . . ?
Se12 Ho7 Se10 88.04(4) . . ?
Se3 Ho7 Se10 87.07(4) 8_444 . ?
Se5 Ho7 Se10 86.99(4) 8_444 . ?
Se8 Ho7 Ho2 44.26(4) . . ?
Se2 Ho7 Ho2 139.20(4) . . ?
Se12 Ho7 Ho2 91.81(3) . . ?
Se3 Ho7 Ho2 47.53(3) 8_444 . ?
Se5 Ho7 Ho2 90.54(3) 8_444 . ?
Se10 Ho7 Ho2 134.50(4) . . ?
Se8 Ho7 Ho8 44.43(3) . 15_655 ?
Se2 Ho7 Ho8 92.33(3) . 15_655 ?
Se12 Ho7 Ho8 139.31(3) . 15_655 ?
Se3 Ho7 Ho8 91.70(3) 8_444 15_655 ?
Se5 Ho7 Ho8 45.59(3) 8_444 15_655 ?
Se10 Ho7 Ho8 132.56(3) . 15_655 ?
Ho2 Ho7 Ho8 59.442(19) . 15_655 ?
Se8 Ho7 Cs 59.13(3) . 6_554 ?
Se2 Ho7 Cs 59.67(4) . 6_554 ?
Se12 Ho7 Cs 55.02(3) . 6_554 ?
Se3 Ho7 Cs 125.43(4) 8_444 6_554 ?
Se5 Ho7 Cs 129.57(3) 8_444 6_554 ?
Se10 Ho7 Cs 123.89(3) . 6_554 ?
Ho2 Ho7 Cs 91.61(3) . 6_554 ?
Ho8 Ho7 Cs 94.72(2) 15_655 6_554 ?
Se8 Ho8 Se7 92.94(4) 12_656 8_444 ?
Se8 Ho8 Se9 92.18(4) 12_656 . ?
Se7 Ho8 Se9 92.22(4) 8_444 . ?
Se8 Ho8 Se5 90.10(4) 12_656 14_545 ?
Se7 Ho8 Se5 87.03(4) 8_444 14_545 ?
Se9 Ho8 Se5 177.63(4) . 14_545 ?
Se8 Ho8 Se11 91.48(4) 12_656 12_656 ?
Se7 Ho8 Se11 175.49(4) 8_444 12_656 ?
Se9 Ho8 Se11 88.48(4) . 12_656 ?
Se5 Ho8 Se11 92.11(4) 14_545 12_656 ?
Se8 Ho8 Se4 178.32(4) 12_656 . ?
Se7 Ho8 Se4 86.25(4) 8_444 . ?
Se9 Ho8 Se4 89.33(4) . . ?
Se5 Ho8 Se4 88.38(4) 14_545 . ?
Se11 Ho8 Se4 89.31(4) 12_656 . ?
Se8 Ho8 Ho2 44.57(4) 12_656 12_656 ?
Se7 Ho8 Ho2 137.50(4) 8_444 12_656 ?
Se9 Ho8 Ho2 90.73(3) . 12_656 ?
Se5 Ho8 Ho2 91.34(3) 14_545 12_656 ?
Se11 Ho8 Ho2 46.91(4) 12_656 12_656 ?
Se4 Ho8 Ho2 136.19(4) . 12_656 ?
Se8 Ho8 Ho7 43.97(3) 12_656 12_656 ?
Se7 Ho8 Ho7 90.34(3) 8_444 12_656 ?
Se9 Ho8 Ho7 136.15(3) . 12_656 ?
Se5 Ho8 Ho7 46.13(3) 14_545 12_656 ?
Se11 Ho8 Ho7 92.25(3) 12_656 12_656 ?
Se4 Ho8 Ho7 134.51(3) . 12_656 ?
Ho2 Ho8 Ho7 59.951(19) 12_656 12_656 ?
Se8 Ho8 Cs 124.79(4) 12_656 9_655 ?
Se7 Ho8 Cs 123.16(4) 8_444 9_655 ?
Se9 Ho8 Cs 122.57(4) . 9_655 ?
Se5 Ho8 Cs 56.31(3) 14_545 9_655 ?
Se11 Ho8 Cs 53.11(3) 12_656 9_655 ?
Se4 Ho8 Cs 54.75(3) . 9_655 ?
Ho2 Ho8 Cs 89.62(3) 12_656 9_655 ?
Ho7 Ho8 Cs 91.33(2) 12_656 9_655 ?
Se1 Ho9 Se4 92.66(4) . 9_655 ?
Se1 Ho9 Se7 89.11(5) . 9_655 ?
Se4 Ho9 Se7 94.61(4) 9_655 9_655 ?
Se1 Ho9 Se5 99.46(5) . 16_655 ?
Se4 Ho9 Se5 90.50(4) 9_655 16_655 ?
Se7 Ho9 Se5 169.82(4) 9_655 16_655 ?
Se1 Ho9 Se7 89.77(4) . . ?
Se4 Ho9 Se7 175.99(4) 9_655 . ?
Se7 Ho9 Se7 88.62(4) 9_655 . ?
Se5 Ho9 Se7 85.94(4) 16_655 . ?
Se1 Ho9 Se2 174.39(5) . 9_655 ?
Se4 Ho9 Se2 87.57(4) 9_655 9_655 ?
Se7 Ho9 Se2 85.29(4) 9_655 9_655 ?
Se5 Ho9 Se2 86.14(4) 16_655 9_655 ?
Se7 Ho9 Se2 90.33(4) . 9_655 ?
Se1 Ho9 Ho6 44.28(3) . . ?
Se4 Ho9 Ho6 136.36(3) 9_655 . ?
Se7 Ho9 Ho6 91.85(3) 9_655 . ?
Se5 Ho9 Ho6 90.51(3) 16_655 . ?
Se7 Ho9 Ho6 45.69(3) . . ?
Se2 Ho9 Ho6 136.02(3) 9_655 . ?
Se1 Ho9 Cs 54.28(3) . . ?
Se4 Ho9 Cs 54.78(3) 9_655 . ?
Se7 Ho9 Cs 59.92(4) 9_655 . ?
Se5 Ho9 Cs 129.83(4) 16_655 . ?
Se7 Ho9 Cs 129.15(3) . . ?
Se2 Ho9 Cs 122.03(3) 9_655 . ?
Ho6 Ho9 Cs 93.06(2) . . ?
Cd5 Se1 Ho6 115.58(6) . . ?
Cd5 Se1 Ho9 116.34(6) . . ?
Ho6 Se1 Ho9 91.09(4) . . ?
Cd5 Se1 Cs 93.63(5) . . ?
Ho6 Se1 Cs 146.21(6) . . ?
Ho9 Se1 Cs 90.54(4) . . ?
Cd5 Se1 Cs 93.24(5) . 6_554 ?
Ho6 Se1 Cs 90.25(4) . 6_554 ?
Ho9 Se1 Cs 146.19(6) . 6_554 ?
Cs Se1 Cs 70.52(5) . 6_554 ?
Cd1 Se2 Ho6 95.61(4) . . ?
Ho1 Se2 Ho6 95.61(4) . . ?
Cd1 Se2 Ho7 94.26(4) . . ?
Ho1 Se2 Ho7 94.26(4) . . ?
Ho6 Se2 Ho7 168.71(6) . . ?
Cd1 Se2 Ho9 90.82(4) . 9_655 ?
Ho1 Se2 Ho9 90.82(4) . 9_655 ?
Ho6 Se2 Ho9 92.73(4) . 9_655 ?
Ho7 Se2 Ho9 92.61(4) . 9_655 ?
Cd1 Se2 Cs 131.69(5) . 6_554 ?
Ho1 Se2 Cs 131.69(5) . 6_554 ?
Ho6 Se2 Cs 84.57(4) . 6_554 ?
Ho7 Se2 Cs 84.77(4) . 6_554 ?
Ho9 Se2 Cs 137.49(4) 9_655 6_554 ?
Cd4 Se3 Ho7 93.06(4) 15 7_444 ?
Ho4 Se3 Ho7 93.06(4) 15 7_444 ?
Ho4 Se3 Ho3 89.57(4) 15 . ?
Ho7 Se3 Ho3 176.63(6) 7_444 . ?
Cd4 Se3 Cd3 89.57(4) 15 . ?
Ho7 Se3 Cd3 176.63(6) 7_444 . ?
Ho4 Se3 Ho2 92.48(4) 15 7_444 ?
Ho7 Se3 Ho2 86.13(4) 7_444 7_444 ?
Ho3 Se3 Ho2 91.66(4) . 7_444 ?
Cd4 Se3 Cd2 92.48(4) 15 7_444 ?
Ho7 Se3 Cd2 86.13(4) 7_444 7_444 ?
Cd3 Se3 Cd2 91.66(4) . 7_444 ?
Cd4 Se3 Cd1 90.64(4) 15 . ?
Ho7 Se3 Cd1 92.99(4) 7_444 . ?
Cd3 Se3 Cd1 89.07(4) . . ?
Cd2 Se3 Cd1 176.79(5) 7_444 . ?
Ho4 Se3 Ho1 90.64(4) 15 . ?
Ho7 Se3 Ho1 92.99(4) 7_444 . ?
Ho3 Se3 Ho1 89.07(4) . . ?
Ho2 Se3 Ho1 176.79(5) 7_444 . ?
Ho9 Se4 Ho1 91.29(4) 9_655 . ?
Ho9 Se4 Cd1 91.29(4) 9_655 . ?
Ho9 Se4 Ho8 177.80(6) 9_655 . ?
Ho1 Se4 Ho8 89.22(4) . . ?
Cd1 Se4 Ho8 89.22(4) . . ?
Ho9 Se4 Ho6 89.21(4) 9_655 8_444 ?
Ho1 Se4 Ho6 93.29(4) . 8_444 ?
Cd1 Se4 Ho6 93.29(4) . 8_444 ?
Ho8 Se4 Ho6 92.90(4) . 8_444 ?
Ho9 Se4 Cs 89.31(4) 9_655 9_655 ?
Ho1 Se4 Cs 131.28(5) . 9_655 ?
Cd1 Se4 Cs 131.28(5) . 9_655 ?
Ho8 Se4 Cs 88.75(4) . 9_655 ?
Ho6 Se4 Cs 135.43(5) 8_444 9_655 ?
Ho6 Se5 Ho8 175.24(5) . 14 ?
Ho6 Se5 Ho9 89.63(4) . 11_665 ?
Ho8 Se5 Ho9 93.36(4) 14 11_665 ?
Ho6 Se5 Ho7 95.25(4) . 7_444 ?
Ho8 Se5 Ho7 88.28(4) 14 7_444 ?
Ho9 Se5 Ho7 93.29(4) 11_665 7_444 ?
Ho6 Se5 Cs 87.62(4) . 6_554 ?
Ho8 Se5 Cs 87.63(4) 14 6_554 ?
Ho9 Se5 Cs 134.04(5) 11_665 6_554 ?
Ho7 Se5 Cs 132.65(5) 7_444 6_554 ?
Ho4 Se6 Ho2 92.23(4) 8_444 . ?
Cd4 Se6 Cd2 92.23(4) 8_444 . ?
Ho4 Se6 Ho2 173.42(6) 8_444 11_666 ?
Ho2 Se6 Ho2 94.29(5) . 11_666 ?
Cd4 Se6 Cd2 173.42(6) 8_444 11_666 ?
Cd2 Se6 Cd2 94.29(5) . 11_666 ?
Cd4 Se6 Cd3 89.89(4) 8_444 8_444 ?
Cd2 Se6 Cd3 93.94(5) . 8_444 ?
Cd2 Se6 Cd3 88.81(4) 11_666 8_444 ?
Ho4 Se6 Ho3 89.89(4) 8_444 8_444 ?
Ho2 Se6 Ho3 93.94(5) . 8_444 ?
Ho2 Se6 Ho3 88.81(4) 11_666 8_444 ?
Cd4 Se6 Cd2 92.75(4) 8_444 16_656 ?
Cd2 Se6 Cd2 93.71(5) . 16_656 ?
Cd2 Se6 Cd2 87.68(4) 11_666 16_656 ?
Cd3 Se6 Cd2 171.80(6) 8_444 16_656 ?
Ho4 Se6 Ho2 92.75(4) 8_444 16_656 ?
Ho2 Se6 Ho2 93.71(5) . 16_656 ?
Ho2 Se6 Ho2 87.68(4) 11_666 16_656 ?
Ho3 Se6 Ho2 171.80(6) 8_444 16_656 ?
Ho8 Se7 Ho6 94.94(4) 7_444 . ?
Ho8 Se7 Ho9 169.91(5) 7_444 9_655 ?
Ho6 Se7 Ho9 93.98(4) . 9_655 ?
Ho8 Se7 Ho9 93.66(4) 7_444 . ?
Ho6 Se7 Ho9 87.97(4) . . ?
Ho9 Se7 Ho9 91.37(4) 9_655 . ?
Ho8 Se7 Cs 86.17(4) 7_444 9_655 ?
Ho6 Se7 Cs 134.04(4) . 9_655 ?
Ho9 Se7 Cs 84.24(4) 9_655 9_655 ?
Ho9 Se7 Cs 137.91(4) . 9_655 ?
Cd2 Se8 Ho7 91.40(4) . . ?
Ho2 Se8 Ho7 91.40(4) . . ?
Cd2 Se8 Ho8 90.31(5) . 15_655 ?
Ho2 Se8 Ho8 90.31(5) . 15_655 ?
Ho7 Se8 Ho8 91.59(4) . 15_655 ?
Cd2 Se8 Cs 131.89(5) . . ?
Ho2 Se8 Cs 131.89(5) . . ?
Ho7 Se8 Cs 136.71(5) . . ?
Ho8 Se8 Cs 88.34(4) 15_655 . ?
Cd2 Se8 Cs 131.34(5) . 6_554 ?
Ho2 Se8 Cs 131.34(5) . 6_554 ?
Ho7 Se8 Cs 86.15(4) . 6_554 ?
Ho8 Se8 Cs 138.30(5) 15_655 6_554 ?
Cs Se8 Cs 66.44(4) . 6_554 ?
Cd1 Se9 Cd3 90.90(4) . 7_444 ?
Ho1 Se9 Ho3 90.90(4) . 7_444 ?
Cd1 Se9 Ho8 90.94(4) . . ?
Ho1 Se9 Ho8 90.94(4) . . ?
Cd3 Se9 Ho8 90.56(4) 7_444 . ?
Ho3 Se9 Ho8 90.56(4) 7_444 . ?
Cd1 Se9 Cd4 93.40(4) . 15 ?
Cd3 Se9 Cd4 90.74(4) 7_444 15 ?
Ho8 Se9 Cd4 175.45(6) . 15 ?
Ho1 Se9 Ho4 93.40(4) . 15 ?
Ho3 Se9 Ho4 90.74(4) 7_444 15 ?
Ho8 Se9 Ho4 175.45(6) . 15 ?
Cd1 Se9 Cs 134.53(5) . 12_656 ?
Ho1 Se9 Cs 134.53(5) . 12_656 ?
Cd3 Se9 Cs 134.51(5) 7_444 12_656 ?
Ho3 Se9 Cs 134.51(5) 7_444 12_656 ?
Ho8 Se9 Cs 90.84(4) . 12_656 ?
Cd4 Se9 Cs 85.14(4) 15 12_656 ?
Ho4 Se9 Cs 85.14(4) 15 12_656 ?
Cd1 Se10 Cd1 174.24(6) . 8_444 ?
Ho1 Se10 Ho1 174.24(6) . 8_444 ?
Cd1 Se10 Ho7 91.65(4) . . ?
Ho1 Se10 Ho7 91.65(4) . . ?
Cd1 Se10 Ho7 93.98(4) 8_444 . ?
Ho1 Se10 Ho7 93.98(4) 8_444 . ?
Ho1 Se10 Ho3 90.89(4) . . ?
Ho1 Se10 Ho3 87.83(4) 8_444 . ?
Ho7 Se10 Ho3 90.50(4) . . ?
Cd1 Se10 Cd3 90.89(4) . . ?
Cd1 Se10 Cd3 87.83(4) 8_444 . ?
Ho7 Se10 Cd3 90.50(4) . . ?
Cd1 Se10 Ho6 91.36(4) . 8_444 ?
Ho1 Se10 Ho6 91.36(4) . 8_444 ?
Cd1 Se10 Ho6 89.69(4) 8_444 8_444 ?
Ho1 Se10 Ho6 89.69(4) 8_444 8_444 ?
Ho7 Se10 Ho6 91.88(4) . 8_444 ?
Ho3 Se10 Ho6 176.68(5) . 8_444 ?
Cd3 Se10 Ho6 176.68(5) . 8_444 ?
Cd3 Se11 Cd4 92.52(4) 10_656 8_444 ?
Ho3 Se11 Ho4 92.52(4) 10_656 8_444 ?
Cd3 Se11 Ho8 91.26(4) 10_656 15_655 ?
Ho3 Se11 Ho8 91.26(4) 10_656 15_655 ?
Cd4 Se11 Ho8 176.15(6) 8_444 15_655 ?
Ho4 Se11 Ho8 176.15(6) 8_444 15_655 ?
Ho3 Se11 Ho2 90.31(4) 10_656 . ?
Ho4 Se11 Ho2 92.45(4) 8_444 . ?
Ho8 Se11 Ho2 86.78(4) 15_655 . ?
Cd3 Se11 Cd2 90.31(4) 10_656 . ?
Cd4 Se11 Cd2 92.45(4) 8_444 . ?
Ho8 Se11 Cd2 86.78(4) 15_655 . ?
Cd3 Se11 Cs 136.04(5) 10_656 3_545 ?
Ho3 Se11 Cs 136.04(5) 10_656 3_545 ?
Cd4 Se11 Cs 87.07(4) 8_444 3_545 ?
Ho4 Se11 Cs 87.07(4) 8_444 3_545 ?
Ho8 Se11 Cs 90.73(4) 15_655 3_545 ?
Ho2 Se11 Cs 133.65(5) . 3_545 ?
Cd2 Se11 Cs 133.65(5) . 3_545 ?
Cd3 Se12 Cd4 92.14(4) . . ?
Ho3 Se12 Ho4 92.14(4) . . ?
Cd3 Se12 Ho7 93.20(4) . . ?
Ho3 Se12 Ho7 93.20(4) . . ?
Cd4 Se12 Ho7 173.82(6) . . ?
Ho4 Se12 Ho7 173.82(6) . . ?
Cd3 Se12 Cd4 90.61(4) . 13 ?
Cd4 Se12 Cd4 90.51(4) . 13 ?
Ho7 Se12 Cd4 92.54(4) . 13 ?
Ho3 Se12 Ho4 90.61(4) . 13 ?
Ho4 Se12 Ho4 90.51(4) . 13 ?
Ho7 Se12 Ho4 92.54(4) . 13 ?
Cd3 Se12 Cs 133.99(5) . 6_554 ?
Ho3 Se12 Cs 133.99(5) . 6_554 ?
Cd4 Se12 Cs 85.23(4) . 6_554 ?
Ho4 Se12 Cs 85.23(4) . 6_554 ?
Ho7 Se12 Cs 88.82(4) . 6_554 ?
Cd4 Se12 Cs 135.26(5) 13 6_554 ?
Ho4 Se12 Cs 135.26(5) 13 6_554 ?

_refine_diff_density_max         4.125
_refine_diff_density_min         -5.309
_refine_diff_density_rms         0.755


####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Cs4Lu26Cd7Se48
_database_code_depnum_ccdc_archive 'CCDC 2034255'
loop_
_audit_author_name
_audit_author_address
'Hua Lin'
;Fujian Institute of Research on the Structure of Matter, CAS
China
;
_audit_update_record             
;
2020-09-28 deposited with the CCDC.	2020-11-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Cd7 Cs4 Lu26 Se48'
_chemical_formula_weight         9657.74

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Lu Lu -0.4720 5.8584 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      tetragonal
_space_group_IT_number           88
_space_group_name_H-M_alt        'I 41/a'
_space_group_name_Hall           '-I 4ad'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-y+3/4, x+1/4, z+1/4'
'y+3/4, -x+3/4, z+3/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1/2, z+1'
'-y+5/4, x+3/4, z+3/4'
'y+5/4, -x+5/4, z+5/4'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'y-3/4, -x-1/4, -z-1/4'
'-y-3/4, x-3/4, -z-3/4'
'-x+1/2, -y+1/2, -z+1/2'
'x, y+1/2, -z'
'y-1/4, -x+1/4, -z+1/4'
'-y-1/4, x-1/4, -z-1/4'

_cell_length_a                   20.3890(8)
_cell_length_b                   20.3890(8)
_cell_length_c                   22.4797(14)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     9345.1(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    10147
_cell_measurement_theta_min      2.2976
_cell_measurement_theta_max      27.4779

_exptl_crystal_description       Prism
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    6.864
_exptl_crystal_F_000             16136
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.1500
_exptl_crystal_size_mid          0.1400
_exptl_crystal_size_min          0.1200
_exptl_absorpt_coefficient_mu    48.961
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.6183
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  Mercury70
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_detector_area_resol_mean 14.6306
_diffrn_reflns_number            29676
_diffrn_reflns_av_unetI/netI     0.0808
_diffrn_reflns_av_R_equivalents  0.0728
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.410
_diffrn_reflns_theta_max         24.996
_diffrn_reflns_theta_full        24.996
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             4104
_reflns_number_gt                3534
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0355P)²+459.3523P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.0000188(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         4104
_refine_ls_number_parameters     203
_refine_ls_number_restraints     343
_refine_ls_R_factor_all          0.0474
_refine_ls_R_factor_gt           0.0384
_refine_ls_wR_factor_ref         0.0939
_refine_ls_wR_factor_gt          0.0881
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_restrained_S_all      1.033
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cs1 Cs 0.60632(5) 0.22841(5) 0.06440(4) 0.0301(2) Uani 1 1 d . . . . .
Lu1 Lu 0.25108(3) -0.00270(3) 0.06213(3) 0.01145(16) Uani 0.7274(2) 1 d . . P A
1
Cd1 Cd 0.25108(3) -0.00270(3) 0.06213(3) 0.01145(16) Uani 0.2726(2) 1 d . . P A
2
Lu2 Lu 0.48279(3) 0.15514(3) 0.30762(3) 0.00852(17) Uani 0.2743(2) 1 d . . P B
1
Cd2 Cd 0.48279(3) 0.15514(3) 0.30762(3) 0.00852(17) Uani 0.7257(2) 1 d . . P B
2
Lu3 Lu 0.17247(3) 0.11545(3) 0.18776(3) 0.01094(16) Uani 0.6746(2) 1 d . . P A
1
Cd3 Cd 0.17247(3) 0.11545(3) 0.18776(3) 0.01094(16) Uani 0.3254(2) 1 d . . P A
2
Lu4 Lu 0.21426(2) 0.30639(2) 0.18505(2) 0.00843(14) Uani 0.9088(2) 1 d . . P A
1
Cd4 Cd 0.21426(2) 0.30639(2) 0.18505(2) 0.00843(14) Uani 0.0912(2) 1 d . . P A
2
Cd5 Cd 0.5000 0.2500 -0.1250 0.0132(4) Uani 1 4 d S T P . .
Lu6 Lu 0.37002(2) 0.08458(2) -0.06046(2) 0.00599(13) Uani 1 1 d . . . . .
Lu7 Lu 0.36928(2) 0.08095(2) 0.18532(2) 0.00658(13) Uani 1 1 d . . . . .
Lu8 Lu 0.20977(2) -0.19278(2) 0.06258(2) 0.00540(13) Uani 1 1 d . . . . .
Lu9 Lu 0.55687(2) 0.04519(2) -0.06028(2) 0.00477(13) Uani 1 1 d . . . . .
Se1 Se 0.48172(6) 0.15541(6) -0.04631(6) 0.0095(3) Uani 1 1 d . U . . .
Se2 Se 0.36339(5) 0.07141(6) 0.06170(5) 0.0065(3) Uani 1 1 d . U . . .
Se3 Se 0.17010(5) 0.11319(5) 0.06071(5) 0.0062(3) Uani 1 1 d . U . . .
Se4 Se 0.32702(5) -0.11801(6) 0.06406(5) 0.0089(3) Uani 1 1 d . U . . .
Se5 Se 0.28656(5) 0.19294(5) -0.06496(5) 0.0046(2) Uani 1 1 d . U . . .
Se6 Se 0.48163(5) 0.15148(6) 0.43365(5) 0.0095(3) Uani 1 1 d . U . . .
Se7 Se 0.44176(5) -0.03170(5) -0.06360(5) 0.0042(2) Uani 1 1 d . U . . .
Se8 Se 0.48223(6) 0.15209(6) 0.18396(6) 0.0125(3) Uani 1 1 d . U . . .
Se9 Se 0.13727(5) -0.07642(5) 0.06211(5) 0.0085(3) Uani 1 1 d . U . . .
Se10 Se 0.25532(5) 0.00085(5) 0.18658(5) 0.0062(3) Uani 1 1 d . U . . .
Se11 Se 0.56006(6) 0.03935(5) 0.31152(5) 0.0096(3) Uani 1 1 d . U . . .
Se12 Se 0.28662(5) 0.19115(5) 0.18890(5) 0.0082(3) Uani 1 1 d . U . . .
Cd10 Cd 0.5000 0.2500 0.2489(3) 0.010(3) Uani 0.171(6) 2 d S T P B .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cs1 Se11 3.8139(14) 4_554 ?
Cs1 Se1 3.8552(15) . ?
Cs1 Se1 3.8766(15) 6_554 ?
Cs1 Se9 3.8922(15) 15_655 ?
Cs1 Se4 3.9055(15) 9_655 ?
Cs1 Se12 3.9099(15) 6_554 ?
Cs1 Se5 3.9746(14) 6_554 ?
Cs1 Se8 4.0057(16) . ?
Cs1 Se8 4.0522(16) 6_554 ?
Cs1 Se2 4.1285(15) 6_554 ?
Cs1 Se7 4.1287(14) 9_655 ?
Cs1 Cs1 4.4241(19) 6_554 ?
Lu1 Se2 2.7435(12) . ?
Lu1 Se9 2.7646(12) . ?
Lu1 Se10 2.7997(14) . ?
Lu1 Se4 2.8154(13) . ?
Lu1 Se10 2.8275(13) 7_444 ?
Lu1 Se3 2.8829(13) . ?
Cd1 Se2 2.7435(12) . ?
Cd1 Se9 2.7646(12) . ?
Cd1 Se10 2.7997(14) . ?
Cd1 Se4 2.8154(13) . ?
Cd1 Se10 2.8275(13) 7_444 ?
Cd1 Se3 2.8829(13) . ?
Lu2 Cd10 2.368(4) . ?
Lu2 Se8 2.7805(14) . ?
Lu2 Se6 2.8343(14) . ?
Lu2 Se6 2.8352(13) 16_656 ?
Lu2 Se11 2.8396(13) . ?
Lu2 Se6 2.8489(13) 11_666 ?
Lu2 Se3 2.8817(13) 8_444 ?
Lu2 Lu8 3.8850(8) 15_655 ?
Lu2 Lu7 3.8991(8) . ?
Lu2 Lu2 3.9313(14) 6_554 ?
Cd2 Cd10 2.368(4) . ?
Cd2 Se8 2.7805(14) . ?
Cd2 Se6 2.8343(14) . ?
Cd2 Se6 2.8352(13) 16_656 ?
Cd2 Se11 2.8396(13) . ?
Cd2 Se6 2.8489(13) 11_666 ?
Cd2 Se3 2.8817(13) 8_444 ?
Lu3 Se11 2.7677(12) 10_556 ?
Lu3 Se12 2.7929(12) . ?
Lu3 Se9 2.7962(13) 8_444 ?
Lu3 Se6 2.8094(13) 7_444 ?
Lu3 Se3 2.8568(12) . ?
Lu3 Se10 2.8835(12) . ?
Cd3 Se11 2.7677(12) 10_556 ?
Cd3 Se12 2.7929(12) . ?
Cd3 Se9 2.7962(13) 8_444 ?
Cd3 Se6 2.8094(13) 7_444 ?
Cd3 Se3 2.8568(12) . ?
Cd3 Se10 2.8835(12) . ?
Lu4 Se12 2.7758(12) . ?
Lu4 Se11 2.7788(12) 7_444 ?
Lu4 Se3 2.8067(12) 12_666 ?
Lu4 Se6 2.8095(12) 7_444 ?
Lu4 Se9 2.8199(12) 12_666 ?
Lu4 Se12 2.8341(12) 13 ?
Lu4 Cs1 4.6087(11) 6_554 ?
Cd4 Se12 2.7758(12) . ?
Cd4 Se11 2.7788(12) 7_444 ?
Cd4 Se3 2.8067(12) 12_666 ?
Cd4 Se6 2.8095(12) 7_444 ?
Cd4 Se9 2.8199(12) 12_666 ?
Cd4 Se12 2.8341(12) 13 ?
Cd4 Cs1 4.6087(11) 6_554 ?
Cd5 Se1 2.6433(12) 6_554 ?
Cd5 Se1 2.6433(12) 11_665 ?
Cd5 Se1 2.6433(12) 16_655 ?
Cd5 Se1 2.6434(12) . ?
Lu6 Se1 2.7155(12) . ?
Lu6 Se2 2.7625(12) . ?
Lu6 Se7 2.7866(11) . ?
Lu6 Se5 2.7906(11) . ?
Lu6 Se4 2.8253(12) 7_444 ?
Lu6 Se10 2.9477(11) 7_444 ?
Lu6 Lu9 3.8934(7) . ?
Lu6 Cs1 4.7593(11) 6_554 ?
Lu7 Se8 2.7218(12) . ?
Lu7 Se2 2.7884(12) . ?
Lu7 Se12 2.8098(12) . ?
Lu7 Se3 2.8215(12) 8_444 ?
Lu7 Se5 2.8278(11) 8_444 ?
Lu7 Se10 2.8403(12) . ?
Lu7 Lu8 3.9211(7) 15_655 ?
Lu7 Cs1 4.7691(11) 6_554 ?
Lu8 Se8 2.7470(12) 12_656 ?
Lu8 Se7 2.7890(11) 8_444 ?
Lu8 Se11 2.7904(12) 12_656 ?
Lu8 Se9 2.7953(12) . ?
Lu8 Se5 2.8078(11) 14_545 ?
Lu8 Se4 2.8356(12) . ?
Lu8 Lu2 3.8850(8) 12_656 ?
Lu8 Lu7 3.9212(7) 12_656 ?
Lu8 Cs1 4.7682(11) 9_655 ?
Lu8 Cs1 4.8343(11) 12_656 ?
Lu9 Se1 2.7380(12) . ?
Lu9 Se4 2.7957(12) 9_655 ?
Lu9 Se7 2.7985(11) 9_655 ?
Lu9 Se5 2.8101(11) 16_655 ?
Lu9 Se7 2.8235(11) . ?
Lu9 Se2 2.8802(12) 9_655 ?
Se1 Cs1 3.8767(15) 6_554 ?
Se2 Lu9 2.8802(12) 9_655 ?
Se2 Cs1 4.1285(15) 6_554 ?
Se3 Cd4 2.8068(12) 15 ?
Se3 Lu4 2.8068(12) 15 ?
Se3 Lu7 2.8215(12) 7_444 ?
Se3 Lu2 2.8817(13) 7_444 ?
Se3 Cd2 2.8817(13) 7_444 ?
Se4 Lu9 2.7957(12) 9_655 ?
Se4 Lu6 2.8252(12) 8_444 ?
Se4 Cs1 3.9055(15) 9_655 ?
Se5 Lu8 2.8078(11) 14 ?
Se5 Lu9 2.8101(11) 11_665 ?
Se5 Lu7 2.8278(11) 7_444 ?
Se5 Cs1 3.9746(14) 6_554 ?
Se6 Cd10 2.545(4) 11_666 ?
Se6 Cd3 2.8093(13) 8_444 ?
Se6 Lu3 2.8093(13) 8_444 ?
Se6 Cd4 2.8095(12) 8_444 ?
Se6 Lu4 2.8095(12) 8_444 ?
Se6 Cd2 2.8353(13) 11_666 ?
Se6 Lu2 2.8353(13) 11_666 ?
Se6 Cd2 2.8490(13) 16_656 ?
Se6 Lu2 2.8490(13) 16_656 ?
Se7 Lu8 2.7891(11) 7_444 ?
Se7 Lu9 2.7985(11) 9_655 ?
Se7 Cs1 4.1287(14) 9_655 ?
Se8 Cd10 2.499(4) . ?
Se8 Lu8 2.7469(12) 15_655 ?
Se8 Cs1 4.0522(16) 6_554 ?
Se9 Cd3 2.7961(13) 7_444 ?
Se9 Lu3 2.7961(13) 7_444 ?
Se9 Cd4 2.8199(12) 15 ?
Se9 Lu4 2.8199(12) 15 ?
Se9 Cs1 3.8922(15) 12_656 ?
Se10 Cd1 2.8276(13) 8_444 ?
Se10 Lu1 2.8276(13) 8_444 ?
Se10 Lu6 2.9477(11) 8_444 ?
Se11 Cd3 2.7678(12) 10_656 ?
Se11 Lu3 2.7678(12) 10_656 ?
Se11 Cd4 2.7789(12) 8_444 ?
Se11 Lu4 2.7789(12) 8_444 ?
Se11 Lu8 2.7902(12) 15_655 ?
Se11 Cs1 3.8138(14) 3_545 ?
Se12 Cd4 2.8341(12) 13 ?
Se12 Lu4 2.8341(12) 13 ?
Se12 Cs1 3.9098(15) 6_554 ?
Cd10 Cd2 2.368(4) 6_554 ?
Cd10 Lu2 2.368(4) 6_554 ?
Cd10 Se8 2.499(4) 6_554 ?
Cd10 Se6 2.545(4) 16_656 ?
Cd10 Se6 2.545(4) 11_666 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Se11 Cs1 Se1 123.67(4) 4_554 . ?
Se11 Cs1 Se1 124.60(4) 4_554 6_554 ?
Se1 Cs1 Se1 61.07(3) . 6_554 ?
Se11 Cs1 Se9 62.79(3) 4_554 15_655 ?
Se1 Cs1 Se9 117.30(3) . 15_655 ?
Se1 Cs1 Se9 172.45(4) 6_554 15_655 ?
Se11 Cs1 Se4 61.86(3) 4_554 9_655 ?
Se1 Cs1 Se4 61.93(3) . 9_655 ?
Se1 Cs1 Se4 92.21(3) 6_554 9_655 ?
Se9 Cs1 Se4 93.18(3) 15_655 9_655 ?
Se11 Cs1 Se12 63.39(3) 4_554 6_554 ?
Se1 Cs1 Se12 172.71(4) . 6_554 ?
Se1 Cs1 Se12 117.50(3) 6_554 6_554 ?
Se9 Cs1 Se12 63.06(3) 15_655 6_554 ?
Se4 Cs1 Se12 125.22(3) 9_655 6_554 ?
Se11 Cs1 Se5 62.15(3) 4_554 6_554 ?
Se1 Cs1 Se5 92.61(3) . 6_554 ?
Se1 Cs1 Se5 62.50(3) 6_554 6_554 ?
Se9 Cs1 Se5 124.94(3) 15_655 6_554 ?
Se4 Cs1 Se5 60.02(3) 9_655 6_554 ?
Se12 Cs1 Se5 92.73(3) 6_554 6_554 ?
Se11 Cs1 Se8 123.33(4) 4_554 . ?
Se1 Cs1 Se8 82.36(3) . . ?
Se1 Cs1 Se8 112.06(3) 6_554 . ?
Se9 Cs1 Se8 60.57(3) 15_655 . ?
Se4 Cs1 Se8 119.47(3) 9_655 . ?
Se12 Cs1 Se8 92.02(3) 6_554 . ?
Se5 Cs1 Se8 174.08(3) 6_554 . ?
Se11 Cs1 Se8 124.81(3) 4_554 6_554 ?
Se1 Cs1 Se8 111.51(3) . 6_554 ?
Se1 Cs1 Se8 81.49(3) 6_554 6_554 ?
Se9 Cs1 Se8 92.77(3) 15_655 6_554 ?
Se4 Cs1 Se8 172.76(4) 9_655 6_554 ?
Se12 Cs1 Se8 61.43(3) 6_554 6_554 ?
Se5 Cs1 Se8 119.18(3) 6_554 6_554 ?
Se8 Cs1 Se8 60.47(3) . 6_554 ?
Se11 Cs1 Se2 93.25(3) 4_554 6_554 ?
Se1 Cs1 Se2 118.08(3) . 6_554 ?
Se1 Cs1 Se2 57.02(3) 6_554 6_554 ?
Se9 Cs1 Se2 123.84(3) 15_655 6_554 ?
Se4 Cs1 Se2 120.45(3) 9_655 6_554 ?
Se12 Cs1 Se2 60.81(3) 6_554 6_554 ?
Se5 Cs1 Se2 60.54(2) 6_554 6_554 ?
Se8 Cs1 Se2 119.23(3) . 6_554 ?
Se8 Cs1 Se2 58.80(3) 6_554 6_554 ?
Se11 Cs1 Se7 91.86(3) 4_554 9_655 ?
Se1 Cs1 Se7 57.70(3) . 9_655 ?
Se1 Cs1 Se7 118.74(3) 6_554 9_655 ?
Se9 Cs1 Se7 59.88(2) 15_655 9_655 ?
Se4 Cs1 Se7 61.28(3) 9_655 9_655 ?
Se12 Cs1 Se7 122.90(3) 6_554 9_655 ?
Se5 Cs1 Se7 121.28(3) 6_554 9_655 ?
Se8 Cs1 Se7 58.38(3) . 9_655 ?
Se8 Cs1 Se7 118.76(3) 6_554 9_655 ?
Se2 Cs1 Se7 174.75(3) 6_554 9_655 ?
Se11 Cs1 Cs1 178.95(3) 4_554 6_554 ?
Se1 Cs1 Cs1 55.32(2) . 6_554 ?
Se1 Cs1 Cs1 54.87(2) 6_554 6_554 ?
Se9 Cs1 Cs1 117.77(3) 15_655 6_554 ?
Se4 Cs1 Cs1 117.11(3) 9_655 6_554 ?
Se12 Cs1 Cs1 117.62(3) 6_554 6_554 ?
Se5 Cs1 Cs1 117.27(3) 6_554 6_554 ?
Se8 Cs1 Cs1 57.20(2) . 6_554 ?
Se8 Cs1 Cs1 56.20(2) 6_554 6_554 ?
Se2 Cs1 Cs1 87.12(3) 6_554 6_554 ?
Se7 Cs1 Cs1 87.75(3) 9_655 6_554 ?
Se2 Lu1 Se9 179.47(4) . . ?
Se2 Lu1 Se10 87.91(4) . . ?
Se9 Lu1 Se10 92.30(4) . . ?
Se2 Lu1 Se4 90.05(3) . . ?
Se9 Lu1 Se4 90.44(3) . . ?
Se10 Lu1 Se4 89.38(4) . . ?
Se2 Lu1 Se10 88.64(4) . 7_444 ?
Se9 Lu1 Se10 91.13(4) . 7_444 ?
Se10 Lu1 Se10 175.10(4) . 7_444 ?
Se4 Lu1 Se10 94.09(4) . 7_444 ?
Se2 Lu1 Se3 91.52(3) . . ?
Se9 Lu1 Se3 87.99(3) . . ?
Se10 Lu1 Se3 90.44(3) . . ?
Se4 Lu1 Se3 178.41(4) . . ?
Se10 Lu1 Se3 86.19(3) 7_444 . ?
Se2 Cd1 Se9 179.47(4) . . ?
Se2 Cd1 Se10 87.91(4) . . ?
Se9 Cd1 Se10 92.30(4) . . ?
Se2 Cd1 Se4 90.05(3) . . ?
Se9 Cd1 Se4 90.44(3) . . ?
Se10 Cd1 Se4 89.38(4) . . ?
Se2 Cd1 Se10 88.64(4) . 7_444 ?
Se9 Cd1 Se10 91.13(4) . 7_444 ?
Se10 Cd1 Se10 175.10(4) . 7_444 ?
Se4 Cd1 Se10 94.09(4) . 7_444 ?
Se2 Cd1 Se3 91.52(3) . . ?
Se9 Cd1 Se3 87.99(3) . . ?
Se10 Cd1 Se3 90.44(3) . . ?
Se4 Cd1 Se3 178.41(4) . . ?
Se10 Cd1 Se3 86.19(3) 7_444 . ?
Cd10 Lu2 Se8 57.41(13) . . ?
Cd10 Lu2 Se6 125.47(13) . . ?
Se8 Lu2 Se6 177.12(4) . . ?
Cd10 Lu2 Se6 57.73(7) . 16_656 ?
Se8 Lu2 Se6 94.87(4) . 16_656 ?
Se6 Lu2 Se6 87.26(4) . 16_656 ?
Cd10 Lu2 Se11 127.88(7) . . ?
Se8 Lu2 Se11 90.83(4) . . ?
Se6 Lu2 Se11 87.24(4) . . ?
Se6 Lu2 Se11 89.63(4) 16_656 . ?
Cd10 Lu2 Se6 57.51(7) . 11_666 ?
Se8 Lu2 Se6 94.85(4) . 11_666 ?
Se6 Lu2 Se6 87.00(4) . 11_666 ?
Se6 Lu2 Se6 91.94(4) 16_656 11_666 ?
Se11 Lu2 Se6 173.95(4) . 11_666 ?
Cd10 Lu2 Se3 125.00(7) . 8_444 ?
Se8 Lu2 Se3 90.50(4) . 8_444 ?
Se6 Lu2 Se3 87.41(4) . 8_444 ?
Se6 Lu2 Se3 174.50(4) 16_656 8_444 ?
Se11 Lu2 Se3 91.50(4) . 8_444 ?
Se6 Lu2 Se3 86.40(4) 11_666 8_444 ?
Cd10 Lu2 Lu8 92.68(11) . 15_655 ?
Se8 Lu2 Lu8 44.99(3) . 15_655 ?
Se6 Lu2 Lu8 133.05(3) . 15_655 ?
Se6 Lu2 Lu8 93.14(3) 16_656 15_655 ?
Se11 Lu2 Lu8 45.84(3) . 15_655 ?
Se6 Lu2 Lu8 139.81(3) 11_666 15_655 ?
Se3 Lu2 Lu8 91.50(3) 8_444 15_655 ?
Cd10 Lu2 Lu7 90.66(11) . . ?
Se8 Lu2 Lu7 44.27(3) . . ?
Se6 Lu2 Lu7 133.60(3) . . ?
Se6 Lu2 Lu7 139.13(3) 16_656 . ?
Se11 Lu2 Lu7 91.63(3) . . ?
Se6 Lu2 Lu7 91.00(3) 11_666 . ?
Se3 Lu2 Lu7 46.23(2) 8_444 . ?
Lu8 Lu2 Lu7 60.495(14) 15_655 . ?
Cd10 Lu2 Lu2 33.90(13) . 6_554 ?
Se8 Lu2 Lu2 91.30(3) . 6_554 ?
Se6 Lu2 Lu2 91.57(3) . 6_554 ?
Se6 Lu2 Lu2 46.39(3) 16_656 6_554 ?
Se11 Lu2 Lu2 135.97(4) . 6_554 ?
Se6 Lu2 Lu2 46.10(3) 11_666 6_554 ?
Se3 Lu2 Lu2 132.44(4) 8_444 6_554 ?
Lu8 Lu2 Lu2 121.578(18) 15_655 6_554 ?
Lu7 Lu2 Lu2 119.187(19) . 6_554 ?
Cd10 Cd2 Se8 57.41(13) . . ?
Cd10 Cd2 Se6 125.47(13) . . ?
Se8 Cd2 Se6 177.12(4) . . ?
Cd10 Cd2 Se6 57.73(7) . 16_656 ?
Se8 Cd2 Se6 94.87(4) . 16_656 ?
Se6 Cd2 Se6 87.26(4) . 16_656 ?
Cd10 Cd2 Se11 127.88(7) . . ?
Se8 Cd2 Se11 90.83(4) . . ?
Se6 Cd2 Se11 87.24(4) . . ?
Se6 Cd2 Se11 89.63(4) 16_656 . ?
Cd10 Cd2 Se6 57.51(7) . 11_666 ?
Se8 Cd2 Se6 94.85(4) . 11_666 ?
Se6 Cd2 Se6 87.00(4) . 11_666 ?
Se6 Cd2 Se6 91.94(4) 16_656 11_666 ?
Se11 Cd2 Se6 173.95(4) . 11_666 ?
Cd10 Cd2 Se3 125.00(7) . 8_444 ?
Se8 Cd2 Se3 90.50(4) . 8_444 ?
Se6 Cd2 Se3 87.41(4) . 8_444 ?
Se6 Cd2 Se3 174.50(4) 16_656 8_444 ?
Se11 Cd2 Se3 91.50(4) . 8_444 ?
Se6 Cd2 Se3 86.40(4) 11_666 8_444 ?
Se11 Lu3 Se12 178.98(4) 10_556 . ?
Se11 Lu3 Se9 89.42(4) 10_556 8_444 ?
Se12 Lu3 Se9 89.71(4) . 8_444 ?
Se11 Lu3 Se6 91.63(4) 10_556 7_444 ?
Se12 Lu3 Se6 88.95(3) . 7_444 ?
Se9 Lu3 Se6 93.09(4) 8_444 7_444 ?
Se11 Lu3 Se3 89.02(4) 10_556 . ?
Se12 Lu3 Se3 91.84(4) . . ?
Se9 Lu3 Se3 177.88(4) 8_444 . ?
Se6 Lu3 Se3 88.38(4) 7_444 . ?
Se11 Lu3 Se10 91.77(4) 10_556 . ?
Se12 Lu3 Se10 87.69(3) . . ?
Se9 Lu3 Se10 89.33(4) 8_444 . ?
Se6 Lu3 Se10 175.84(4) 7_444 . ?
Se3 Lu3 Se10 89.29(4) . . ?
Se11 Cd3 Se12 178.98(4) 10_556 . ?
Se11 Cd3 Se9 89.42(4) 10_556 8_444 ?
Se12 Cd3 Se9 89.71(4) . 8_444 ?
Se11 Cd3 Se6 91.63(4) 10_556 7_444 ?
Se12 Cd3 Se6 88.95(3) . 7_444 ?
Se9 Cd3 Se6 93.09(4) 8_444 7_444 ?
Se11 Cd3 Se3 89.02(4) 10_556 . ?
Se12 Cd3 Se3 91.84(4) . . ?
Se9 Cd3 Se3 177.88(4) 8_444 . ?
Se6 Cd3 Se3 88.38(4) 7_444 . ?
Se11 Cd3 Se10 91.77(4) 10_556 . ?
Se12 Cd3 Se10 87.69(3) . . ?
Se9 Cd3 Se10 89.33(4) 8_444 . ?
Se6 Cd3 Se10 175.84(4) 7_444 . ?
Se3 Cd3 Se10 89.29(4) . . ?
Se12 Lu4 Se11 93.90(4) . 7_444 ?
Se12 Lu4 Se3 175.70(4) . 12_666 ?
Se11 Lu4 Se3 89.82(3) 7_444 12_666 ?
Se12 Lu4 Se6 89.29(4) . 7_444 ?
Se11 Lu4 Se6 88.92(4) 7_444 7_444 ?
Se3 Lu4 Se6 88.62(4) 12_666 7_444 ?
Se12 Lu4 Se9 93.63(4) . 12_666 ?
Se11 Lu4 Se9 91.63(4) 7_444 12_666 ?
Se3 Lu4 Se9 88.42(4) 12_666 12_666 ?
Se6 Lu4 Se9 176.99(4) 7_444 12_666 ?
Se12 Lu4 Se12 89.27(3) . 13 ?
Se11 Lu4 Se12 176.83(4) 7_444 13 ?
Se3 Lu4 Se12 87.01(3) 12_666 13 ?
Se6 Lu4 Se12 90.89(4) 7_444 13 ?
Se9 Lu4 Se12 88.41(4) 12_666 13 ?
Se12 Lu4 Cs1 57.73(3) . 6_554 ?
Se11 Lu4 Cs1 55.75(3) 7_444 6_554 ?
Se3 Lu4 Cs1 126.42(3) 12_666 6_554 ?
Se6 Lu4 Cs1 125.21(3) 7_444 6_554 ?
Se9 Lu4 Cs1 57.30(3) 12_666 6_554 ?
Se12 Lu4 Cs1 126.59(3) 13 6_554 ?
Se12 Cd4 Se11 93.90(4) . 7_444 ?
Se12 Cd4 Se3 175.70(4) . 12_666 ?
Se11 Cd4 Se3 89.82(3) 7_444 12_666 ?
Se12 Cd4 Se6 89.29(4) . 7_444 ?
Se11 Cd4 Se6 88.92(4) 7_444 7_444 ?
Se3 Cd4 Se6 88.62(4) 12_666 7_444 ?
Se12 Cd4 Se9 93.63(4) . 12_666 ?
Se11 Cd4 Se9 91.63(4) 7_444 12_666 ?
Se3 Cd4 Se9 88.42(4) 12_666 12_666 ?
Se6 Cd4 Se9 176.99(4) 7_444 12_666 ?
Se12 Cd4 Se12 89.27(3) . 13 ?
Se11 Cd4 Se12 176.83(4) 7_444 13 ?
Se3 Cd4 Se12 87.01(3) 12_666 13 ?
Se6 Cd4 Se12 90.89(4) 7_444 13 ?
Se9 Cd4 Se12 88.41(4) 12_666 13 ?
Se12 Cd4 Cs1 57.73(3) . 6_554 ?
Se11 Cd4 Cs1 55.75(3) 7_444 6_554 ?
Se3 Cd4 Cs1 126.42(3) 12_666 6_554 ?
Se6 Cd4 Cs1 125.21(3) 7_444 6_554 ?
Se9 Cd4 Cs1 57.30(3) 12_666 6_554 ?
Se12 Cd4 Cs1 126.59(3) 13 6_554 ?
Se1 Cd5 Se1 116.60(3) 6_554 11_665 ?
Se1 Cd5 Se1 116.60(3) 6_554 16_655 ?
Se1 Cd5 Se1 95.99(5) 11_665 16_655 ?
Se1 Cd5 Se1 95.99(5) 6_554 . ?
Se1 Cd5 Se1 116.60(3) 11_665 . ?
Se1 Cd5 Se1 116.60(3) 16_655 . ?
Se1 Lu6 Se2 88.64(4) . . ?
Se1 Lu6 Se7 90.87(3) . . ?
Se2 Lu6 Se7 88.18(3) . . ?
Se1 Lu6 Se5 95.43(4) . . ?
Se2 Lu6 Se5 94.77(3) . . ?
Se7 Lu6 Se5 173.10(4) . . ?
Se1 Lu6 Se4 99.10(4) . 7_444 ?
Se2 Lu6 Se4 170.56(4) . 7_444 ?
Se7 Lu6 Se4 86.33(3) . 7_444 ?
Se5 Lu6 Se4 89.89(3) . 7_444 ?
Se1 Lu6 Se10 174.50(4) . 7_444 ?
Se2 Lu6 Se10 85.89(4) . 7_444 ?
Se7 Lu6 Se10 88.38(3) . 7_444 ?
Se5 Lu6 Se10 85.61(3) . 7_444 ?
Se4 Lu6 Se10 86.30(4) 7_444 7_444 ?
Se1 Lu6 Lu9 44.68(3) . . ?
Se2 Lu6 Lu9 91.54(3) . . ?
Se7 Lu6 Lu9 46.44(2) . . ?
Se5 Lu6 Lu9 139.46(3) . . ?
Se4 Lu6 Lu9 90.23(3) 7_444 . ?
Se10 Lu6 Lu9 134.83(3) 7_444 . ?
Se1 Lu6 Cs1 54.54(3) . 6_554 ?
Se2 Lu6 Cs1 59.77(3) . 6_554 ?
Se7 Lu6 Cs1 130.05(3) . 6_554 ?
Se5 Lu6 Cs1 56.55(3) . 6_554 ?
Se4 Lu6 Cs1 129.34(3) 7_444 6_554 ?
Se10 Lu6 Cs1 122.50(3) 7_444 6_554 ?
Lu9 Lu6 Cs1 93.756(16) . 6_554 ?
Se8 Lu7 Se2 93.58(4) . . ?
Se8 Lu7 Se12 94.69(4) . . ?
Se2 Lu7 Se12 93.35(4) . . ?
Se8 Lu7 Se3 93.01(4) . 8_444 ?
Se2 Lu7 Se3 173.32(4) . 8_444 ?
Se12 Lu7 Se3 87.20(3) . 8_444 ?
Se8 Lu7 Se5 90.12(3) . 8_444 ?
Se2 Lu7 Se5 87.80(3) . 8_444 ?
Se12 Lu7 Se5 174.97(4) . 8_444 ?
Se3 Lu7 Se5 91.10(3) 8_444 8_444 ?
Se8 Lu7 Se10 177.10(4) . . ?
Se2 Lu7 Se10 86.25(4) . . ?
Se12 Lu7 Se10 88.21(3) . . ?
Se3 Lu7 Se10 87.12(3) 8_444 . ?
Se5 Lu7 Se10 86.98(3) 8_444 . ?
Se8 Lu7 Lu2 45.49(3) . . ?
Se2 Lu7 Lu2 139.06(3) . . ?
Se12 Lu7 Lu2 91.47(3) . . ?
Se3 Lu7 Lu2 47.52(3) 8_444 . ?
Se5 Lu7 Lu2 90.86(3) 8_444 . ?
Se10 Lu7 Lu2 134.56(3) . . ?
Se8 Lu7 Lu8 44.45(3) . 15_655 ?
Se2 Lu7 Lu8 92.26(3) . 15_655 ?
Se12 Lu7 Lu8 139.04(3) . 15_655 ?
Se3 Lu7 Lu8 91.68(3) 8_444 15_655 ?
Se5 Lu7 Lu8 45.70(2) 8_444 15_655 ?
Se10 Lu7 Lu8 132.65(3) . 15_655 ?
Lu2 Lu7 Lu8 59.574(14) . 15_655 ?
Se8 Lu7 Cs1 58.07(3) . 6_554 ?
Se2 Lu7 Cs1 59.56(3) . 6_554 ?
Se12 Lu7 Cs1 55.05(3) . 6_554 ?
Se3 Lu7 Cs1 125.46(3) 8_444 6_554 ?
Se5 Lu7 Cs1 129.34(3) 8_444 6_554 ?
Se10 Lu7 Cs1 124.03(3) . 6_554 ?
Lu2 Lu7 Cs1 91.363(18) . 6_554 ?
Lu8 Lu7 Cs1 94.448(16) 15_655 6_554 ?
Se8 Lu8 Se7 91.58(4) 12_656 8_444 ?
Se8 Lu8 Se11 92.59(4) 12_656 12_656 ?
Se7 Lu8 Se11 175.74(4) 8_444 12_656 ?
Se8 Lu8 Se9 91.92(4) 12_656 . ?
Se7 Lu8 Se9 91.74(3) 8_444 . ?
Se11 Lu8 Se9 88.97(4) 12_656 . ?
Se8 Lu8 Se5 90.03(3) 12_656 14_545 ?
Se7 Lu8 Se5 87.27(3) 8_444 14_545 ?
Se11 Lu8 Se5 91.87(3) 12_656 14_545 ?
Se9 Lu8 Se5 177.84(4) . 14_545 ?
Se8 Lu8 Se4 177.36(4) 12_656 . ?
Se7 Lu8 Se4 86.08(3) 8_444 . ?
Se11 Lu8 Se4 89.73(4) 12_656 . ?
Se9 Lu8 Se4 89.40(4) . . ?
Se5 Lu8 Se4 88.61(4) 14_545 . ?
Se8 Lu8 Lu2 45.70(3) 12_656 12_656 ?
Se7 Lu8 Lu2 137.28(3) 8_444 12_656 ?
Se11 Lu8 Lu2 46.89(3) 12_656 12_656 ?
Se9 Lu8 Lu2 90.58(3) . 12_656 ?
Se5 Lu8 Lu2 91.45(3) 14_545 12_656 ?
Se4 Lu8 Lu2 136.61(3) . 12_656 ?
Se8 Lu8 Lu7 43.94(3) 12_656 12_656 ?
Se7 Lu8 Lu7 90.48(3) 8_444 12_656 ?
Se11 Lu8 Lu7 91.93(3) 12_656 12_656 ?
Se9 Lu8 Lu7 135.85(3) . 12_656 ?
Se5 Lu8 Lu7 46.12(2) 14_545 12_656 ?
Se4 Lu8 Lu7 134.73(3) . 12_656 ?
Lu2 Lu8 Lu7 59.930(14) 12_656 12_656 ?
Se8 Lu8 Cs1 125.81(3) 12_656 9_655 ?
Se7 Lu8 Cs1 123.34(3) 8_444 9_655 ?
Se11 Lu8 Cs1 53.10(3) 12_656 9_655 ?
Se9 Lu8 Cs1 122.88(3) . 9_655 ?
Se5 Lu8 Cs1 56.39(3) 14_545 9_655 ?
Se4 Lu8 Cs1 54.97(3) . 9_655 ?
Lu2 Lu8 Cs1 89.906(18) 12_656 9_655 ?
Lu7 Lu8 Cs1 91.424(16) 12_656 9_655 ?
Se8 Lu8 Cs1 55.95(3) 12_656 12_656 ?
Se7 Lu8 Cs1 58.47(3) 8_444 12_656 ?
Se11 Lu8 Cs1 124.94(3) 12_656 12_656 ?
Se9 Lu8 Cs1 53.61(3) . 12_656 ?
Se5 Lu8 Cs1 127.12(3) 14_545 12_656 ?
Se4 Lu8 Cs1 123.44(3) . 12_656 ?
Lu2 Lu8 Cs1 90.008(18) 12_656 12_656 ?
Lu7 Lu8 Cs1 91.571(16) 12_656 12_656 ?
Cs1 Lu8 Cs1 176.49(2) 9_655 12_656 ?
Se1 Lu9 Se4 92.37(4) . 9_655 ?
Se1 Lu9 Se7 88.40(4) . 9_655 ?
Se4 Lu9 Se7 94.24(3) 9_655 9_655 ?
Se1 Lu9 Se5 99.59(4) . 16_655 ?
Se4 Lu9 Se5 90.10(3) 9_655 16_655 ?
Se7 Lu9 Se5 170.75(4) 9_655 16_655 ?
Se1 Lu9 Se7 89.63(3) . . ?
Se4 Lu9 Se7 176.36(4) 9_655 . ?
Se7 Lu9 Se7 88.86(3) 9_655 . ?
Se5 Lu9 Se7 86.56(3) 16_655 . ?
Se1 Lu9 Se2 174.04(4) . 9_655 ?
Se4 Lu9 Se2 87.71(4) 9_655 9_655 ?
Se7 Lu9 Se2 85.66(3) 9_655 9_655 ?
Se5 Lu9 Se2 86.36(3) 16_655 9_655 ?
Se7 Lu9 Se2 90.61(3) . 9_655 ?
Se1 Lu9 Lu6 44.21(3) . . ?
Se4 Lu9 Lu6 135.97(3) 9_655 . ?
Se7 Lu9 Lu6 91.78(3) 9_655 . ?
Se5 Lu9 Lu6 90.76(2) 16_655 . ?
Se7 Lu9 Lu6 45.66(2) . . ?
Se2 Lu9 Lu6 136.27(3) 9_655 . ?
Se1 Lu9 Cs1 53.77(3) . . ?
Se4 Lu9 Cs1 54.82(3) 9_655 . ?
Se7 Lu9 Cs1 59.40(3) 9_655 . ?
Se5 Lu9 Cs1 129.36(3) 16_655 . ?
Se7 Lu9 Cs1 128.68(3) . . ?
Se2 Lu9 Cs1 122.19(3) 9_655 . ?
Lu6 Lu9 Cs1 92.626(16) . . ?
Cd5 Se1 Lu6 115.33(5) . . ?
Cd5 Se1 Lu9 116.31(5) . . ?
Lu6 Se1 Lu9 91.11(4) . . ?
Cd5 Se1 Cs1 93.29(3) . . ?
Lu6 Se1 Cs1 146.47(5) . . ?
Lu9 Se1 Cs1 91.27(3) . . ?
Cd5 Se1 Cs1 92.81(3) . 6_554 ?
Lu6 Se1 Cs1 90.68(3) . 6_554 ?
Lu9 Se1 Cs1 146.55(5) . 6_554 ?
Cs1 Se1 Cs1 69.81(3) . 6_554 ?
Cd1 Se2 Lu6 95.62(4) . . ?
Lu1 Se2 Lu6 95.62(4) . . ?
Cd1 Se2 Lu7 94.06(4) . . ?
Lu1 Se2 Lu7 94.06(4) . . ?
Lu6 Se2 Lu7 169.06(5) . . ?
Cd1 Se2 Lu9 90.95(4) . 9_655 ?
Lu1 Se2 Lu9 90.95(4) . 9_655 ?
Lu6 Se2 Lu9 92.39(3) . 9_655 ?
Lu7 Se2 Lu9 92.54(3) . 9_655 ?
Cd1 Se2 Cs1 132.01(4) . 6_554 ?
Lu1 Se2 Cs1 132.01(4) . 6_554 ?
Lu6 Se2 Cs1 84.91(3) . 6_554 ?
Lu7 Se2 Cs1 84.83(3) . 6_554 ?
Lu9 Se2 Cs1 137.03(4) 9_655 6_554 ?
Cd4 Se3 Lu7 93.01(3) 15 7_444 ?
Lu4 Se3 Lu7 93.01(3) 15 7_444 ?
Lu4 Se3 Lu3 89.37(3) 15 . ?
Lu7 Se3 Lu3 176.51(5) 7_444 . ?
Cd4 Se3 Cd3 89.37(3) 15 . ?
Lu7 Se3 Cd3 176.51(5) 7_444 . ?
Lu4 Se3 Lu2 92.14(4) 15 7_444 ?
Lu7 Se3 Lu2 86.25(3) 7_444 7_444 ?
Lu3 Se3 Lu2 91.11(4) . 7_444 ?
Cd4 Se3 Cd2 92.14(4) 15 7_444 ?
Lu7 Se3 Cd2 86.25(3) 7_444 7_444 ?
Cd3 Se3 Cd2 91.11(4) . 7_444 ?
Cd4 Se3 Cd1 90.66(3) 15 . ?
Lu7 Se3 Cd1 92.95(4) 7_444 . ?
Cd3 Se3 Cd1 89.57(4) . . ?
Cd2 Se3 Cd1 177.13(5) 7_444 . ?
Lu4 Se3 Lu1 90.66(3) 15 . ?
Lu7 Se3 Lu1 92.95(4) 7_444 . ?
Lu3 Se3 Lu1 89.57(4) . . ?
Lu2 Se3 Lu1 177.13(5) 7_444 . ?
Lu9 Se4 Lu1 91.25(4) 9_655 . ?
Lu9 Se4 Cd1 91.25(4) 9_655 . ?
Lu9 Se4 Lu6 89.54(3) 9_655 8_444 ?
Lu1 Se4 Lu6 93.30(4) . 8_444 ?
Cd1 Se4 Lu6 93.30(4) . 8_444 ?
Lu9 Se4 Lu8 177.55(5) 9_655 . ?
Lu1 Se4 Lu8 89.14(3) . . ?
Cd1 Se4 Lu8 89.14(3) . . ?
Lu6 Se4 Lu8 92.86(4) 8_444 . ?
Lu9 Se4 Cs1 89.37(3) 9_655 9_655 ?
Lu1 Se4 Cs1 131.40(4) . 9_655 ?
Cd1 Se4 Cs1 131.40(4) . 9_655 ?
Lu6 Se4 Cs1 135.31(4) 8_444 9_655 ?
Lu8 Se4 Cs1 88.56(3) . 9_655 ?
Lu6 Se5 Lu8 175.13(5) . 14 ?
Lu6 Se5 Lu9 89.95(3) . 11_665 ?
Lu8 Se5 Lu9 93.03(3) 14 11_665 ?
Lu6 Se5 Lu7 95.51(3) . 7_444 ?
Lu8 Se5 Lu7 88.18(3) 14 7_444 ?
Lu9 Se5 Lu7 93.21(3) 11_665 7_444 ?
Lu6 Se5 Cs1 87.59(3) . 6_554 ?
Lu8 Se5 Cs1 87.57(3) 14 6_554 ?
Lu9 Se5 Cs1 134.05(4) 11_665 6_554 ?
Lu7 Se5 Cs1 132.71(4) 7_444 6_554 ?
Cd10 Se6 Cd3 121.88(7) 11_666 8_444 ?
Cd10 Se6 Lu3 121.88(7) 11_666 8_444 ?
Cd10 Se6 Cd4 125.21(8) 11_666 8_444 ?
Cd3 Se6 Cd4 90.36(4) 8_444 8_444 ?
Cd10 Se6 Lu4 125.21(8) 11_666 8_444 ?
Lu3 Se6 Lu4 90.36(4) 8_444 8_444 ?
Cd10 Se6 Lu2 125.01(12) 11_666 . ?
Lu3 Se6 Lu2 93.10(4) 8_444 . ?
Lu4 Se6 Lu2 91.65(4) 8_444 . ?
Cd10 Se6 Cd2 125.01(12) 11_666 . ?
Cd3 Se6 Cd2 93.10(4) 8_444 . ?
Cd4 Se6 Cd2 91.65(4) 8_444 . ?
Cd10 Se6 Cd2 51.89(6) 11_666 11_666 ?
Cd3 Se6 Cd2 88.89(4) 8_444 11_666 ?
Cd4 Se6 Cd2 175.35(5) 8_444 11_666 ?
Cd2 Se6 Cd2 92.97(4) . 11_666 ?
Cd10 Se6 Lu2 51.89(6) 11_666 11_666 ?
Lu3 Se6 Lu2 88.89(4) 8_444 11_666 ?
Lu4 Se6 Lu2 175.35(5) 8_444 11_666 ?
Lu2 Se6 Lu2 92.97(4) . 11_666 ?
Cd10 Se6 Cd2 51.71(6) 11_666 16_656 ?
Cd3 Se6 Cd2 173.35(5) 8_444 16_656 ?
Cd4 Se6 Cd2 92.77(4) 8_444 16_656 ?
Cd2 Se6 Cd2 92.68(4) . 16_656 ?
Cd2 Se6 Cd2 87.52(4) 11_666 16_656 ?
Cd10 Se6 Lu2 51.71(6) 11_666 16_656 ?
Lu3 Se6 Lu2 173.35(5) 8_444 16_656 ?
Lu4 Se6 Lu2 92.77(4) 8_444 16_656 ?
Lu2 Se6 Lu2 92.68(4) . 16_656 ?
Lu2 Se6 Lu2 87.52(4) 11_666 16_656 ?
Lu6 Se7 Lu8 94.72(3) . 7_444 ?
Lu6 Se7 Lu9 93.65(3) . 9_655 ?
Lu8 Se7 Lu9 170.73(5) 7_444 9_655 ?
Lu6 Se7 Lu9 87.89(3) . . ?
Lu8 Se7 Lu9 93.14(3) 7_444 . ?
Lu9 Se7 Lu9 91.14(3) 9_655 . ?
Lu6 Se7 Cs1 134.58(4) . 9_655 ?
Lu8 Se7 Cs1 86.38(3) 7_444 9_655 ?
Lu9 Se7 Cs1 84.91(3) 9_655 9_655 ?
Lu9 Se7 Cs1 137.46(4) . 9_655 ?
Cd10 Se8 Lu7 122.81(7) . . ?
Cd10 Se8 Lu8 124.47(8) . 15_655 ?
Lu7 Se8 Lu8 91.61(4) . 15_655 ?
Cd10 Se8 Cd2 52.97(12) . . ?
Lu7 Se8 Cd2 90.24(4) . . ?
Lu8 Se8 Cd2 89.31(4) 15_655 . ?
Cd10 Se8 Lu2 52.97(12) . . ?
Lu7 Se8 Lu2 90.24(4) . . ?
Lu8 Se8 Lu2 89.31(4) 15_655 . ?
Cd10 Se8 Cs1 89.42(11) . . ?
Lu7 Se8 Cs1 138.50(5) . . ?
Lu8 Se8 Cs1 89.43(3) 15_655 . ?
Cd2 Se8 Cs1 131.26(4) . . ?
Lu2 Se8 Cs1 131.26(4) . . ?
Cd10 Se8 Cs1 88.37(11) . 6_554 ?
Lu7 Se8 Cs1 87.18(3) . 6_554 ?
Lu8 Se8 Cs1 140.00(5) 15_655 6_554 ?
Cd2 Se8 Cs1 130.65(4) . 6_554 ?
Lu2 Se8 Cs1 130.65(4) . 6_554 ?
Cs1 Se8 Cs1 66.60(3) . 6_554 ?
Cd1 Se9 Lu8 91.01(4) . . ?
Lu1 Se9 Lu8 91.01(4) . . ?
Cd1 Se9 Cd3 91.22(4) . 7_444 ?
Lu8 Se9 Cd3 90.42(4) . 7_444 ?
Lu1 Se9 Lu3 91.22(4) . 7_444 ?
Lu8 Se9 Lu3 90.42(4) . 7_444 ?
Cd1 Se9 Cd4 92.86(4) . 15 ?
Lu8 Se9 Cd4 175.84(5) . 15 ?
Cd3 Se9 Cd4 91.01(4) 7_444 15 ?
Lu1 Se9 Lu4 92.86(4) . 15 ?
Lu8 Se9 Lu4 175.84(5) . 15 ?
Lu3 Se9 Lu4 91.01(4) 7_444 15 ?
Cd1 Se9 Cs1 134.43(4) . 12_656 ?
Lu1 Se9 Cs1 134.43(4) . 12_656 ?
Lu8 Se9 Cs1 91.07(3) . 12_656 ?
Cd3 Se9 Cs1 134.28(4) 7_444 12_656 ?
Lu3 Se9 Cs1 134.28(4) 7_444 12_656 ?
Cd4 Se9 Cs1 85.14(3) 15 12_656 ?
Lu4 Se9 Cs1 85.14(3) 15 12_656 ?
Cd1 Se10 Cd1 174.42(5) . 8_444 ?
Lu1 Se10 Lu1 174.42(5) . 8_444 ?
Cd1 Se10 Lu7 91.73(4) . . ?
Lu1 Se10 Lu7 91.73(4) . . ?
Cd1 Se10 Lu7 93.74(4) 8_444 . ?
Lu1 Se10 Lu7 93.74(4) 8_444 . ?
Lu1 Se10 Lu3 90.69(4) . . ?
Lu1 Se10 Lu3 88.18(3) 8_444 . ?
Lu7 Se10 Lu3 90.77(3) . . ?
Cd1 Se10 Cd3 90.69(4) . . ?
Cd1 Se10 Cd3 88.18(3) 8_444 . ?
Lu7 Se10 Cd3 90.77(3) . . ?
Cd1 Se10 Lu6 91.03(3) . 8_444 ?
Lu1 Se10 Lu6 91.03(3) . 8_444 ?
Cd1 Se10 Lu6 89.86(3) 8_444 8_444 ?
Lu1 Se10 Lu6 89.86(3) 8_444 8_444 ?
Lu7 Se10 Lu6 91.86(3) . 8_444 ?
Lu3 Se10 Lu6 176.82(5) . 8_444 ?
Cd3 Se10 Lu6 176.82(5) . 8_444 ?
Cd3 Se11 Cd4 91.79(4) 10_656 8_444 ?
Lu3 Se11 Lu4 91.79(4) 10_656 8_444 ?
Cd3 Se11 Lu8 91.11(4) 10_656 15_655 ?
Lu3 Se11 Lu8 91.11(4) 10_656 15_655 ?
Cd4 Se11 Lu8 177.04(5) 8_444 15_655 ?
Lu4 Se11 Lu8 177.04(5) 8_444 15_655 ?
Lu3 Se11 Lu2 89.63(4) 10_656 . ?
Lu4 Se11 Lu2 92.18(4) 8_444 . ?
Lu8 Se11 Lu2 87.27(4) 15_655 . ?
Cd3 Se11 Cd2 89.63(4) 10_656 . ?
Cd4 Se11 Cd2 92.18(4) 8_444 . ?
Lu8 Se11 Cd2 87.27(4) 15_655 . ?
Cd3 Se11 Cs1 135.95(4) 10_656 3_545 ?
Lu3 Se11 Cs1 135.95(4) 10_656 3_545 ?
Cd4 Se11 Cs1 87.22(3) 8_444 3_545 ?
Lu4 Se11 Cs1 87.22(3) 8_444 3_545 ?
Lu8 Se11 Cs1 91.09(3) 15_655 3_545 ?
Lu2 Se11 Cs1 134.42(4) . 3_545 ?
Cd2 Se11 Cs1 134.42(4) . 3_545 ?
Lu4 Se12 Lu3 91.41(4) . . ?
Cd4 Se12 Cd3 91.41(4) . . ?
Cd4 Se12 Lu7 174.14(5) . . ?
Lu4 Se12 Lu7 174.14(5) . . ?
Lu3 Se12 Lu7 93.31(4) . . ?
Cd3 Se12 Lu7 93.31(4) . . ?
Cd4 Se12 Cd4 90.73(3) . 13 ?
Cd3 Se12 Cd4 90.78(4) . 13 ?
Lu7 Se12 Cd4 92.67(4) . 13 ?
Lu4 Se12 Lu4 90.73(3) . 13 ?
Lu3 Se12 Lu4 90.78(4) . 13 ?
Lu7 Se12 Lu4 92.67(4) . 13 ?
Cd4 Se12 Cs1 85.37(3) . 6_554 ?
Lu4 Se12 Cs1 85.37(3) . 6_554 ?
Lu3 Se12 Cs1 133.67(4) . 6_554 ?
Cd3 Se12 Cs1 133.67(4) . 6_554 ?
Lu7 Se12 Cs1 88.86(3) . 6_554 ?
Cd4 Se12 Cs1 135.38(4) 13 6_554 ?
Lu4 Se12 Cs1 135.38(4) 13 6_554 ?
Cd2 Cd10 Cd2 112.2(3) . 6_554 ?
Lu2 Cd10 Lu2 112.2(3) . 6_554 ?
Cd2 Cd10 Se8 178.2(3) . 6_554 ?
Lu2 Cd10 Se8 178.2(3) . 6_554 ?
Cd2 Cd10 Se8 69.62(3) 6_554 6_554 ?
Lu2 Cd10 Se8 69.62(3) 6_554 6_554 ?
Cd2 Cd10 Se8 69.62(3) . . ?
Lu2 Cd10 Se8 69.62(3) . . ?
Cd2 Cd10 Se8 178.2(3) 6_554 . ?
Lu2 Cd10 Se8 178.2(3) 6_554 . ?
Se8 Cd10 Se8 108.6(2) 6_554 . ?
Cd2 Cd10 Se6 70.39(13) . 16_656 ?
Lu2 Cd10 Se6 70.39(13) . 16_656 ?
Cd2 Cd10 Se6 70.78(13) 6_554 16_656 ?
Lu2 Cd10 Se6 70.78(13) 6_554 16_656 ?
Se8 Cd10 Se6 110.56(4) 6_554 16_656 ?
Se8 Cd10 Se6 110.17(4) . 16_656 ?
Cd2 Cd10 Se6 70.78(13) . 11_666 ?
Lu2 Cd10 Se6 70.78(13) . 11_666 ?
Cd2 Cd10 Se6 70.39(13) 6_554 11_666 ?
Lu2 Cd10 Se6 70.39(13) 6_554 11_666 ?
Se8 Cd10 Se6 110.17(4) 6_554 11_666 ?
Se8 Cd10 Se6 110.56(4) . 11_666 ?
Se6 Cd10 Se6 106.8(2) 16_656 11_666 ?

_refine_diff_density_max         2.602
_refine_diff_density_min         -3.278
_refine_diff_density_rms         0.359



####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Cs4Er26Cd7Se48
_database_code_depnum_ccdc_archive 'CCDC 2034253'
loop_
_audit_author_name
_audit_author_address
'Hua Lin'
;Fujian Institute of Research on the Structure of Matter, CAS
China
;
_audit_update_record             
;
2020-09-28 deposited with the CCDC.	2020-11-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Cd7 Cs4 Er26 Se48'
_chemical_formula_weight         9457.28

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Er Er -0.2586 4.9576 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      tetragonal
_space_group_IT_number           88
_space_group_name_H-M_alt        'I 41/a'
_space_group_name_Hall           '-I 4ad'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-y+3/4, x+1/4, z+1/4'
'y+3/4, -x+3/4, z+3/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1/2, z+1'
'-y+5/4, x+3/4, z+3/4'
'y+5/4, -x+5/4, z+5/4'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'y-3/4, -x-1/4, -z-1/4'
'-y-3/4, x-3/4, -z-3/4'
'-x+1/2, -y+1/2, -z+1/2'
'x, y+1/2, -z'
'y-1/4, -x+1/4, -z+1/4'
'-y-1/4, x-1/4, -z-1/4'

_cell_length_a                   20.513(5)
_cell_length_b                   20.513(5)
_cell_length_c                   22.655(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     9533(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    10785
_cell_measurement_theta_min      3.1110
_cell_measurement_theta_max      27.4758

_exptl_crystal_description       Prism
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    6.589
_exptl_crystal_F_000             15824
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.1600
_exptl_crystal_size_mid          0.1400
_exptl_crystal_size_min          0.1200
_exptl_absorpt_coefficient_mu    43.960
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.4214
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  Mercury70
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_detector_area_resol_mean 14.6306
_diffrn_reflns_number            29783
_diffrn_reflns_av_unetI/netI     0.0408
_diffrn_reflns_av_R_equivalents  0.0813
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.281
_diffrn_reflns_theta_max         24.987
_diffrn_reflns_theta_full        24.987
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             4180
_reflns_number_gt                3714
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0646P)²+15.6999P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.000037(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         4180
_refine_ls_number_parameters     203
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0461
_refine_ls_R_factor_gt           0.0392
_refine_ls_wR_factor_ref         0.1088
_refine_ls_wR_factor_gt          0.1034
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cs1 Cs 0.02174(4) 0.14323(4) 0.31413(4) 0.0331(3) Uani 1 1 d . . . . .
Er1 Er 0.24732(3) 0.00135(3) 0.18715(2) 0.01132(17) Uani 0.7126(2) 1 d . . P A
1
Cd1 Cd 0.24732(3) 0.00135(3) 0.18715(2) 0.01132(17) Uani 0.2874(2) 1 d . . P A
2
Er2 Er 0.09507(3) 0.26707(3) 0.55739(3) 0.00879(18) Uani 0.3115(2) 1 d . . P B
1
Cd2 Cd 0.09507(3) 0.26707(3) 0.55739(3) 0.00879(18) Uani 0.6885(2) 1 d . . P B
2
Er3 Er 0.13468(3) 0.07709(3) 0.56142(2) 0.01133(16) Uani 0.6166(2) 1 d . . P B
1
Cd3 Cd 0.13468(3) 0.07709(3) 0.56142(2) 0.01133(16) Uani 0.3834(2) 1 d . . P B
2
Er4 Er 0.05651(2) -0.03571(2) 0.43490(2) 0.00643(15) Uani 0.9044(2) 1 d . . P B
1
Cd4 Cd 0.05651(2) -0.03571(2) 0.43490(2) 0.00643(15) Uani 0.0956(2) 1 d . . P B
2
Cd5 Cd 0.0000 0.2500 0.1250 0.0140(3) Uani 1 4 d S T P . .
Er5 Er 0.13019(2) 0.08478(2) 0.06004(2) 0.00446(14) Uani 1 1 d . . . . .
Er6 Er 0.33092(2) 0.11946(2) 0.06439(2) 0.00565(14) Uani 1 1 d . . . . .
Er7 Er 0.29027(2) 0.30739(2) 0.06307(2) 0.00420(14) Uani 1 1 d . . . . .
Er8 Er 0.20439(2) 0.19313(2) 0.18965(2) 0.00366(14) Uani 1 1 d . . . . .
Se1 Se 0.01830(5) 0.15593(5) 0.04645(6) 0.0092(2) Uani 1 1 d . . . . .
Se2 Se 0.32118(5) 0.11347(5) 0.18740(4) 0.0069(3) Uani 1 1 d . . . . .
Se3 Se 0.32986(5) 0.11324(5) -0.06168(4) 0.0073(3) Uani 1 1 d . . . . .
Se4 Se 0.13185(5) 0.07699(5) 0.18492(4) 0.0083(3) Uani 1 1 d . . . . .
Se5 Se 0.21346(5) 0.19319(5) 0.06447(4) 0.0050(3) Uani 1 1 d . . . . .
Se6 Se 0.01816(5) 0.15156(5) 0.56694(5) 0.0093(3) Uani 1 1 d . . . . .
Se7 Se 0.21853(5) 0.19187(5) 0.31299(4) 0.0046(2) Uani 1 1 d . . . . .
Se8 Se 0.40208(5) 0.23243(5) 0.06493(5) 0.0127(3) Uani 1 1 d . . . . .
Se9 Se 0.13725(5) 0.07606(5) 0.43656(4) 0.0090(3) Uani 1 1 d . . . . .
Se10 Se 0.25068(5) 0.00568(5) 0.06196(4) 0.0063(3) Uani 1 1 d . . . . .
Se11 Se 0.21054(5) 0.18923(5) 0.56092(4) 0.0096(3) Uani 1 1 d . . . . .
Se12 Se 0.44106(5) 0.03645(5) 0.06055(4) 0.0078(3) Uani 1 1 d . . . . .
Cd10 Cd 0.0000 0.2500 0.4989(5) 0.005(4) Uani 0.088(5) 2 d S T P B .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cs1 Se11 3.8327(16) 7_444 ?
Cs1 Se1 3.8806(15) 12_666 ?
Cs1 Se9 3.8995(16) . ?
Cs1 Se1 3.9003(15) 15 ?
Cs1 Se4 3.9391(16) . ?
Cs1 Se12 3.9493(16) 10_556 ?
Cs1 Se5 3.9842(15) 15 ?
Cs1 Se8 4.0565(16) 13 ?
Cs1 Se8 4.1086(16) 10_556 ?
Cs1 Se7 4.1582(16) . ?
Cs1 Se2 4.1592(17) 10_556 ?
Cs1 Cs1 4.470(2) 6_454 ?
Er1 Se2 2.7541(14) . ?
Er1 Se9 2.7827(14) 7_444 ?
Er1 Se4 2.8321(14) . ?
Er1 Se10 2.8330(13) 8_444 ?
Er1 Se10 2.8385(13) . ?
Er1 Se3 2.9035(14) 8_444 ?
Cd1 Se2 2.7541(14) . ?
Cd1 Se9 2.7827(14) 7_444 ?
Cd1 Se4 2.8321(14) . ?
Cd1 Se10 2.8330(13) 8_444 ?
Cd1 Se10 2.8385(13) . ?
Cd1 Se3 2.9035(14) 8_444 ?
Er2 Cd10 2.384(6) . ?
Er2 Se8 2.7716(15) 13 ?
Er2 Se6 2.8482(16) 12_667 ?
Er2 Se6 2.8549(14) . ?
Er2 Se11 2.8578(14) . ?
Er2 Se6 2.8683(14) 6_454 ?
Er2 Se3 2.8997(14) 13 ?
Er2 Er7 3.9132(11) 13 ?
Er2 Er6 3.9159(11) 13 ?
Cd2 Cd10 2.384(6) . ?
Cd2 Se8 2.7716(15) 13 ?
Cd2 Se6 2.8482(16) 12_667 ?
Cd2 Se6 2.8549(14) . ?
Cd2 Se11 2.8578(14) . ?
Cd2 Se6 2.8683(14) 6_454 ?
Cd2 Se3 2.8997(14) 13 ?
Er3 Se11 2.7773(13) . ?
Er3 Se12 2.7998(13) 2 ?
Er3 Se9 2.8294(14) . ?
Er3 Se6 2.8394(13) . ?
Er3 Se3 2.8759(14) 7_445 ?
Er3 Se10 2.9004(13) 2 ?
Cd3 Se11 2.7773(13) . ?
Cd3 Se12 2.7998(13) 2 ?
Cd3 Se9 2.8294(14) . ?
Cd3 Se6 2.8394(13) . ?
Cd3 Se3 2.8759(14) 7_445 ?
Cd3 Se10 2.9004(13) 2 ?
Er4 Se12 2.7945(13) 10_556 ?
Er4 Se11 2.8112(14) 7_444 ?
Er4 Se3 2.8230(13) 2 ?
Er4 Se6 2.8274(13) 9_556 ?
Er4 Se9 2.8287(13) . ?
Er4 Se12 2.8469(14) 2 ?
Cd4 Se12 2.7945(13) 10_556 ?
Cd4 Se11 2.8112(14) 7_444 ?
Cd4 Se3 2.8230(13) 2 ?
Cd4 Se6 2.8274(13) 9_556 ?
Cd4 Se9 2.8287(13) . ?
Cd4 Se12 2.8469(14) 2 ?
Cd5 Se1 2.6518(12) . ?
Cd5 Se1 2.6518(12) 12_666 ?
Cd5 Se1 2.6518(12) 6_454 ?
Cd5 Se1 2.6518(12) 15 ?
Er5 Se1 2.7374(12) . ?
Er5 Se2 2.7954(13) 7_444 ?
Er5 Se5 2.8058(12) . ?
Er5 Se7 2.8066(13) 7_444 ?
Er5 Se4 2.8338(14) . ?
Er5 Se10 2.9569(13) . ?
Er5 Er8 3.9205(11) 15 ?
Er5 Cs1 4.7805(13) 12_666 ?
Er6 Se8 2.7389(13) . ?
Er6 Se2 2.7967(13) . ?
Er6 Se12 2.8305(13) . ?
Er6 Se5 2.8447(13) . ?
Er6 Se10 2.8565(13) . ?
Er6 Se3 2.8591(14) . ?
Er6 Er2 3.9159(11) 13 ?
Er6 Er7 3.9442(11) . ?
Er6 Cs1 4.8098(14) 10_656 ?
Er7 Se8 2.7617(13) . ?
Er7 Se11 2.8101(13) 13 ?
Er7 Se7 2.8137(13) 13 ?
Er7 Se9 2.8155(13) 13 ?
Er7 Se5 2.8232(12) . ?
Er7 Se4 2.8496(13) 12_666 ?
Er7 Er2 3.9132(11) 13 ?
Er7 Cs1 4.7965(13) 12_666 ?
Er7 Cs1 4.8617(14) 13 ?
Er8 Se1 2.7564(12) 12_666 ?
Er8 Se7 2.8094(13) . ?
Er8 Se4 2.8110(13) . ?
Er8 Se7 2.8406(13) 13 ?
Er8 Se5 2.8422(13) . ?
Er8 Se2 2.9003(13) . ?
Er8 Er5 3.9206(11) 12_666 ?
Se1 Er8 2.7564(12) 15 ?
Se1 Cs1 3.8806(15) 15 ?
Se1 Cs1 3.9005(15) 12_666 ?
Se2 Er5 2.7955(13) 8_444 ?
Se2 Cs1 4.1593(17) 10_656 ?
Se3 Cd4 2.8228(13) 2_554 ?
Se3 Er4 2.8228(13) 2_554 ?
Se3 Cd3 2.8759(14) 8_443 ?
Se3 Er3 2.8759(14) 8_443 ?
Se3 Er2 2.8998(14) 13 ?
Se3 Cd2 2.8998(14) 13 ?
Se3 Cd1 2.9035(14) 7_444 ?
Se3 Er1 2.9035(14) 7_444 ?
Se4 Er7 2.8495(13) 15 ?
Se5 Cs1 3.9842(15) 12_666 ?
Se6 Cd10 2.568(7) . ?
Se6 Cd4 2.8274(13) 9_556 ?
Se6 Er4 2.8274(13) 9_556 ?
Se6 Cd2 2.8482(16) 15_556 ?
Se6 Er2 2.8482(16) 15_556 ?
Se6 Cd2 2.8683(14) 6_454 ?
Se6 Er2 2.8683(14) 6_454 ?
Se7 Er5 2.8065(13) 8_444 ?
Se7 Er7 2.8136(13) 13 ?
Se7 Er8 2.8406(13) 13 ?
Se8 Cd10 2.501(6) 13 ?
Se8 Cd2 2.7717(15) 13 ?
Se8 Er2 2.7717(15) 13 ?
Se8 Cs1 4.0564(16) 13 ?
Se8 Cs1 4.1086(16) 10_656 ?
Se9 Cd1 2.7828(14) 8_444 ?
Se9 Er1 2.7828(14) 8_444 ?
Se9 Er7 2.8156(13) 13 ?
Se10 Cd1 2.8331(13) 7_444 ?
Se10 Er1 2.8331(13) 7_444 ?
Se10 Cd3 2.9004(13) 2_554 ?
Se10 Er3 2.9004(13) 2_554 ?
Se11 Er7 2.8101(13) 13 ?
Se11 Cd4 2.8112(14) 8_444 ?
Se11 Er4 2.8112(14) 8_444 ?
Se11 Cs1 3.8327(16) 8_444 ?
Se12 Cd4 2.7946(13) 10_656 ?
Se12 Er4 2.7946(13) 10_656 ?
Se12 Cd3 2.7997(13) 2_554 ?
Se12 Er3 2.7997(13) 2_554 ?
Se12 Er4 2.8470(14) 2_554 ?
Se12 Cd4 2.8470(14) 2_554 ?
Se12 Cs1 3.9493(16) 10_656 ?
Cd10 Cd2 2.384(6) 6_454 ?
Cd10 Er2 2.384(6) 6_454 ?
Cd10 Se8 2.501(6) 10_556 ?
Cd10 Se8 2.501(6) 13 ?
Cd10 Se6 2.568(7) 6_454 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Se11 Cs1 Se1 123.66(3) 7_444 12_666 ?
Se11 Cs1 Se9 62.68(3) 7_444 . ?
Se1 Cs1 Se9 117.41(3) 12_666 . ?
Se11 Cs1 Se1 124.75(3) 7_444 15 ?
Se1 Cs1 Se1 60.70(3) 12_666 15 ?
Se9 Cs1 Se1 172.46(4) . 15 ?
Se11 Cs1 Se4 61.89(3) 7_444 . ?
Se1 Cs1 Se4 61.91(3) 12_666 . ?
Se9 Cs1 Se4 93.34(4) . . ?
Se1 Cs1 Se4 91.86(4) 15 . ?
Se11 Cs1 Se12 63.83(3) 7_444 10_556 ?
Se1 Cs1 Se12 172.29(4) 12_666 10_556 ?
Se9 Cs1 Se12 63.08(3) . 10_556 ?
Se1 Cs1 Se12 117.68(3) 15 10_556 ?
Se4 Cs1 Se12 125.68(3) . 10_556 ?
Se11 Cs1 Se5 62.19(2) 7_444 15 ?
Se1 Cs1 Se5 92.62(4) 12_666 15 ?
Se9 Cs1 Se5 124.87(3) . 15 ?
Se1 Cs1 Se5 62.59(3) 15 15 ?
Se4 Cs1 Se5 59.93(3) . 15 ?
Se12 Cs1 Se5 92.96(4) 10_556 15 ?
Se11 Cs1 Se8 123.17(3) 7_444 13 ?
Se1 Cs1 Se8 82.71(4) 12_666 13 ?
Se9 Cs1 Se8 60.50(3) . 13 ?
Se1 Cs1 Se8 112.08(3) 15 13 ?
Se4 Cs1 Se8 119.87(3) . 13 ?
Se12 Cs1 Se8 91.40(4) 10_556 13 ?
Se5 Cs1 Se8 174.33(3) 15 13 ?
Se11 Cs1 Se8 124.95(3) 7_444 10_556 ?
Se1 Cs1 Se8 111.38(3) 12_666 10_556 ?
Se9 Cs1 Se8 92.64(4) . 10_556 ?
Se1 Cs1 Se8 81.79(4) 15 10_556 ?
Se4 Cs1 Se8 172.64(3) . 10_556 ?
Se12 Cs1 Se8 61.13(3) 10_556 10_556 ?
Se5 Cs1 Se8 119.39(3) 15 10_556 ?
Se8 Cs1 Se8 59.98(3) 13 10_556 ?
Se11 Cs1 Se7 91.82(3) 7_444 . ?
Se1 Cs1 Se7 57.74(2) 12_666 . ?
Se9 Cs1 Se7 59.95(2) . . ?
Se1 Cs1 Se7 118.40(3) 15 . ?
Se4 Cs1 Se7 61.42(2) . . ?
Se12 Cs1 Se7 122.98(3) 10_556 . ?
Se5 Cs1 Se7 121.32(3) 15 . ?
Se8 Cs1 Se7 58.62(2) 13 . ?
Se8 Cs1 Se7 118.50(3) 10_556 . ?
Se11 Cs1 Se2 93.61(3) 7_444 10_556 ?
Se1 Cs1 Se2 118.02(3) 12_666 10_556 ?
Se9 Cs1 Se2 123.72(3) . 10_556 ?
Se1 Cs1 Se2 57.35(2) 15 10_556 ?
Se4 Cs1 Se2 120.69(3) . 10_556 ?
Se12 Cs1 Se2 60.67(2) 10_556 10_556 ?
Se5 Cs1 Se2 60.87(2) 15 10_556 ?
Se8 Cs1 Se2 118.62(3) 13 10_556 ?
Se8 Cs1 Se2 58.67(2) 10_556 10_556 ?
Se7 Cs1 Se2 174.49(3) . 10_556 ?
Se11 Cs1 Cs1 178.78(3) 7_444 6_454 ?
Se1 Cs1 Cs1 55.14(2) 12_666 6_454 ?
Se9 Cs1 Cs1 117.87(3) . 6_454 ?
Se1 Cs1 Cs1 54.73(2) 15 6_454 ?
Se4 Cs1 Cs1 116.90(3) . 6_454 ?
Se12 Cs1 Cs1 117.38(3) 10_556 6_454 ?
Se5 Cs1 Cs1 117.23(2) 15 6_454 ?
Se8 Cs1 Cs1 57.37(2) 13 6_454 ?
Se8 Cs1 Cs1 56.25(2) 10_556 6_454 ?
Se7 Cs1 Cs1 87.63(3) . 6_454 ?
Se2 Cs1 Cs1 86.93(3) 10_556 6_454 ?
Se2 Er1 Se9 179.35(4) . 7_444 ?
Se2 Er1 Se4 90.15(3) . . ?
Se9 Er1 Se4 90.47(3) 7_444 . ?
Se2 Er1 Se10 88.68(3) . 8_444 ?
Se9 Er1 Se10 91.44(3) 7_444 8_444 ?
Se4 Er1 Se10 94.39(3) . 8_444 ?
Se2 Er1 Se10 87.86(3) . . ?
Se9 Er1 Se10 91.99(3) 7_444 . ?
Se4 Er1 Se10 89.16(3) . . ?
Se10 Er1 Se10 175.05(4) 8_444 . ?
Se2 Er1 Se3 91.63(3) . 8_444 ?
Se9 Er1 Se3 87.74(3) 7_444 8_444 ?
Se4 Er1 Se3 178.15(3) . 8_444 ?
Se10 Er1 Se3 86.15(3) 8_444 8_444 ?
Se10 Er1 Se3 90.41(3) . 8_444 ?
Se2 Cd1 Se9 179.35(4) . 7_444 ?
Se2 Cd1 Se4 90.15(3) . . ?
Se9 Cd1 Se4 90.47(3) 7_444 . ?
Se2 Cd1 Se10 88.68(3) . 8_444 ?
Se9 Cd1 Se10 91.44(3) 7_444 8_444 ?
Se4 Cd1 Se10 94.39(3) . 8_444 ?
Se2 Cd1 Se10 87.86(3) . . ?
Se9 Cd1 Se10 91.99(3) 7_444 . ?
Se4 Cd1 Se10 89.16(3) . . ?
Se10 Cd1 Se10 175.05(4) 8_444 . ?
Se2 Cd1 Se3 91.63(3) . 8_444 ?
Se9 Cd1 Se3 87.74(3) 7_444 8_444 ?
Se4 Cd1 Se3 178.15(3) . 8_444 ?
Se10 Cd1 Se3 86.15(3) 8_444 8_444 ?
Se10 Cd1 Se3 90.41(3) . 8_444 ?
Cd10 Er2 Se8 57.5(2) . 13 ?
Cd10 Er2 Se6 125.2(2) . 12_667 ?
Se8 Er2 Se6 177.31(4) 13 12_667 ?
Cd10 Er2 Se6 57.87(12) . . ?
Se8 Er2 Se6 95.19(4) 13 . ?
Se6 Er2 Se6 86.80(4) 12_667 . ?
Cd10 Er2 Se11 127.71(11) . . ?
Se8 Er2 Se11 90.72(3) 13 . ?
Se6 Er2 Se11 87.49(3) 12_667 . ?
Se6 Er2 Se11 89.55(3) . . ?
Cd10 Er2 Se6 57.66(12) . 6_454 ?
Se8 Er2 Se6 95.19(4) 13 6_454 ?
Se6 Er2 Se6 86.55(3) 12_667 6_454 ?
Se6 Er2 Se6 91.71(3) . 6_454 ?
Se11 Er2 Se6 173.82(4) . 6_454 ?
Cd10 Er2 Se3 125.28(10) . 13 ?
Se8 Er2 Se3 91.10(3) 13 13 ?
Se6 Er2 Se3 86.96(3) 12_667 13 ?
Se6 Er2 Se3 173.54(4) . 13 ?
Se11 Er2 Se3 91.83(3) . 13 ?
Se6 Er2 Se3 86.26(3) 6_454 13 ?
Cd10 Er2 Er7 92.68(19) . 13 ?
Se8 Er2 Er7 44.89(3) 13 13 ?
Se6 Er2 Er7 133.28(3) 12_667 13 ?
Se6 Er2 Er7 93.50(3) . 13 ?
Se11 Er2 Er7 45.83(3) . 13 ?
Se6 Er2 Er7 140.04(3) 6_454 13 ?
Se3 Er2 Er7 91.98(3) 13 13 ?
Cd10 Er2 Er6 90.73(18) . 13 ?
Se8 Er2 Er6 44.38(3) 13 13 ?
Se6 Er2 Er6 133.65(3) 12_667 13 ?
Se6 Er2 Er6 139.55(3) . 13 ?
Se11 Er2 Er6 91.75(3) . 13 ?
Se6 Er2 Er6 91.21(3) 6_454 13 ?
Se3 Er2 Er6 46.72(3) 13 13 ?
Er7 Er2 Er6 60.500(18) 13 13 ?
Cd10 Cd2 Se8 57.5(2) . 13 ?
Cd10 Cd2 Se6 125.2(2) . 12_667 ?
Se8 Cd2 Se6 177.31(4) 13 12_667 ?
Cd10 Cd2 Se6 57.87(12) . . ?
Se8 Cd2 Se6 95.19(4) 13 . ?
Se6 Cd2 Se6 86.80(4) 12_667 . ?
Cd10 Cd2 Se11 127.71(11) . . ?
Se8 Cd2 Se11 90.72(3) 13 . ?
Se6 Cd2 Se11 87.49(3) 12_667 . ?
Se6 Cd2 Se11 89.55(3) . . ?
Cd10 Cd2 Se6 57.66(12) . 6_454 ?
Se8 Cd2 Se6 95.19(4) 13 6_454 ?
Se6 Cd2 Se6 86.55(3) 12_667 6_454 ?
Se6 Cd2 Se6 91.71(3) . 6_454 ?
Se11 Cd2 Se6 173.82(4) . 6_454 ?
Cd10 Cd2 Se3 125.28(10) . 13 ?
Se8 Cd2 Se3 91.10(3) 13 13 ?
Se6 Cd2 Se3 86.96(3) 12_667 13 ?
Se6 Cd2 Se3 173.54(4) . 13 ?
Se11 Cd2 Se3 91.83(3) . 13 ?
Se6 Cd2 Se3 86.26(3) 6_454 13 ?
Se11 Er3 Se12 179.26(4) . 2 ?
Se11 Er3 Se9 89.52(3) . . ?
Se12 Er3 Se9 89.83(3) 2 . ?
Se11 Er3 Se6 91.50(3) . . ?
Se12 Er3 Se6 88.90(3) 2 . ?
Se9 Er3 Se6 93.65(4) . . ?
Se11 Er3 Se3 88.82(3) . 7_445 ?
Se12 Er3 Se3 91.82(3) 2 7_445 ?
Se9 Er3 Se3 177.96(4) . 7_445 ?
Se6 Er3 Se3 87.58(4) . 7_445 ?
Se11 Er3 Se10 91.75(3) . 2 ?
Se12 Er3 Se10 87.88(3) 2 2 ?
Se9 Er3 Se10 89.12(3) . 2 ?
Se6 Er3 Se10 175.74(4) . 2 ?
Se3 Er3 Se10 89.74(3) 7_445 2 ?
Se11 Cd3 Se12 179.26(4) . 2 ?
Se11 Cd3 Se9 89.52(3) . . ?
Se12 Cd3 Se9 89.83(3) 2 . ?
Se11 Cd3 Se6 91.50(3) . . ?
Se12 Cd3 Se6 88.90(3) 2 . ?
Se9 Cd3 Se6 93.65(4) . . ?
Se11 Cd3 Se3 88.82(3) . 7_445 ?
Se12 Cd3 Se3 91.82(3) 2 7_445 ?
Se9 Cd3 Se3 177.96(4) . 7_445 ?
Se6 Cd3 Se3 87.58(4) . 7_445 ?
Se11 Cd3 Se10 91.75(3) . 2 ?
Se12 Cd3 Se10 87.88(3) 2 2 ?
Se9 Cd3 Se10 89.12(3) . 2 ?
Se6 Cd3 Se10 175.74(4) . 2 ?
Se3 Cd3 Se10 89.74(3) 7_445 2 ?
Se12 Er4 Se11 94.46(3) 10_556 7_444 ?
Se12 Er4 Se3 175.66(3) 10_556 2 ?
Se11 Er4 Se3 89.22(3) 7_444 2 ?
Se12 Er4 Se6 89.24(3) 10_556 9_556 ?
Se11 Er4 Se6 88.80(4) 7_444 9_556 ?
Se3 Er4 Se6 88.52(3) 2 9_556 ?
Se12 Er4 Se9 93.80(4) 10_556 . ?
Se11 Er4 Se9 90.98(3) 7_444 . ?
Se3 Er4 Se9 88.44(4) 2 . ?
Se6 Er4 Se9 176.96(3) 9_556 . ?
Se12 Er4 Se12 88.90(3) 10_556 2 ?
Se11 Er4 Se12 176.64(4) 7_444 2 ?
Se3 Er4 Se12 87.43(3) 2 2 ?
Se6 Er4 Se12 91.13(3) 9_556 2 ?
Se9 Er4 Se12 88.90(3) . 2 ?
Se12 Er4 Cs1 58.11(3) 10_556 . ?
Se11 Er4 Cs1 55.70(3) 7_444 . ?
Se3 Er4 Cs1 126.13(3) 2 . ?
Se6 Er4 Cs1 125.01(3) 9_556 . ?
Se9 Er4 Cs1 57.03(3) . . ?
Se12 Er4 Cs1 126.68(3) 2 . ?
Se12 Cd4 Se11 94.46(3) 10_556 7_444 ?
Se12 Cd4 Se3 175.66(3) 10_556 2 ?
Se11 Cd4 Se3 89.22(3) 7_444 2 ?
Se12 Cd4 Se6 89.24(3) 10_556 9_556 ?
Se11 Cd4 Se6 88.80(4) 7_444 9_556 ?
Se3 Cd4 Se6 88.52(3) 2 9_556 ?
Se12 Cd4 Se9 93.80(4) 10_556 . ?
Se11 Cd4 Se9 90.98(3) 7_444 . ?
Se3 Cd4 Se9 88.44(4) 2 . ?
Se6 Cd4 Se9 176.96(3) 9_556 . ?
Se12 Cd4 Se12 88.90(3) 10_556 2 ?
Se11 Cd4 Se12 176.64(4) 7_444 2 ?
Se3 Cd4 Se12 87.43(3) 2 2 ?
Se6 Cd4 Se12 91.13(3) 9_556 2 ?
Se9 Cd4 Se12 88.90(3) . 2 ?
Se12 Cd4 Cs1 58.11(3) 10_556 . ?
Se11 Cd4 Cs1 55.70(3) 7_444 . ?
Se3 Cd4 Cs1 126.13(3) 2 . ?
Se6 Cd4 Cs1 125.01(3) 9_556 . ?
Se9 Cd4 Cs1 57.03(3) . . ?
Se12 Cd4 Cs1 126.68(3) 2 . ?
Se1 Cd5 Se1 116.77(3) . 12_666 ?
Se1 Cd5 Se1 95.69(6) . 6_454 ?
Se1 Cd5 Se1 116.77(3) 12_666 6_454 ?
Se1 Cd5 Se1 116.77(3) . 15 ?
Se1 Cd5 Se1 95.69(6) 12_666 15 ?
Se1 Cd5 Se1 116.77(3) 6_454 15 ?
Se1 Er5 Se2 88.87(4) . 7_444 ?
Se1 Er5 Se5 95.28(3) . . ?
Se2 Er5 Se5 94.95(3) 7_444 . ?
Se1 Er5 Se7 90.80(3) . 7_444 ?
Se2 Er5 Se7 87.90(3) 7_444 7_444 ?
Se5 Er5 Se7 173.33(3) . 7_444 ?
Se1 Er5 Se4 98.77(4) . . ?
Se2 Er5 Se4 170.43(4) 7_444 . ?
Se5 Er5 Se4 90.10(3) . . ?
Se7 Er5 Se4 86.25(3) 7_444 . ?
Se1 Er5 Se10 174.32(4) . . ?
Se2 Er5 Se10 85.47(3) 7_444 . ?
Se5 Er5 Se10 85.73(3) . . ?
Se7 Er5 Se10 88.49(3) 7_444 . ?
Se4 Er5 Se10 86.81(3) . . ?
Se1 Er5 Er8 44.66(2) . 15 ?
Se2 Er5 Er8 91.53(2) 7_444 15 ?
Se5 Er5 Er8 139.31(3) . 15 ?
Se7 Er5 Er8 46.39(2) 7_444 15 ?
Se4 Er5 Er8 89.91(2) . 15 ?
Se10 Er5 Er8 134.88(2) . 15 ?
Se1 Er5 Cs1 54.68(3) . 12_666 ?
Se2 Er5 Cs1 59.99(3) 7_444 12_666 ?
Se5 Er5 Cs1 56.38(2) . 12_666 ?
Se7 Er5 Cs1 130.00(3) 7_444 12_666 ?
Se4 Er5 Cs1 129.34(3) . 12_666 ?
Se10 Er5 Cs1 122.20(2) . 12_666 ?
Er8 Er5 Cs1 93.847(15) 15 12_666 ?
Se8 Er6 Se2 94.06(4) . . ?
Se8 Er6 Se12 94.80(3) . . ?
Se2 Er6 Se12 93.51(3) . . ?
Se8 Er6 Se5 90.09(3) . . ?
Se2 Er6 Se5 87.84(3) . . ?
Se12 Er6 Se5 174.82(3) . . ?
Se8 Er6 Se10 176.90(3) . . ?
Se2 Er6 Se10 86.69(3) . . ?
Se12 Er6 Se10 88.16(3) . . ?
Se5 Er6 Se10 86.93(3) . . ?
Se8 Er6 Se3 92.65(3) . . ?
Se2 Er6 Se3 173.20(4) . . ?
Se12 Er6 Se3 87.05(3) . . ?
Se5 Er6 Se3 91.02(3) . . ?
Se10 Er6 Se3 86.55(3) . . ?
Se8 Er6 Er2 45.05(3) . 13 ?
Se2 Er6 Er2 139.10(3) . 13 ?
Se12 Er6 Er2 91.51(2) . 13 ?
Se5 Er6 Er2 90.73(2) . 13 ?
Se10 Er6 Er2 134.06(3) . 13 ?
Se3 Er6 Er2 47.60(3) . 13 ?
Se8 Er6 Er7 44.42(2) . . ?
Se2 Er6 Er7 92.03(2) . . ?
Se12 Er6 Er7 139.16(3) . . ?
Se5 Er6 Er7 45.68(2) . . ?
Se10 Er6 Er7 132.58(2) . . ?
Se3 Er6 Er7 91.97(2) . . ?
Er2 Er6 Er7 59.715(14) 13 . ?
Se8 Er6 Cs1 58.53(3) . 10_656 ?
Se2 Er6 Cs1 59.50(3) . 10_656 ?
Se12 Er6 Cs1 55.18(3) . 10_656 ?
Se5 Er6 Cs1 129.42(2) . 10_656 ?
Se10 Er6 Cs1 124.25(2) . 10_656 ?
Se3 Er6 Cs1 125.61(3) . 10_656 ?
Er2 Er6 Cs1 91.57(2) 13 10_656 ?
Er7 Er6 Cs1 94.436(15) . 10_656 ?
Se8 Er7 Se11 91.94(3) . 13 ?
Se8 Er7 Se7 92.35(3) . 13 ?
Se11 Er7 Se7 175.63(4) 13 13 ?
Se8 Er7 Se9 91.96(4) . 13 ?
Se11 Er7 Se9 89.15(3) 13 13 ?
Se7 Er7 Se9 91.51(3) 13 13 ?
Se8 Er7 Se5 90.08(3) . . ?
Se11 Er7 Se5 91.63(3) 13 . ?
Se7 Er7 Se5 87.57(3) 13 . ?
Se9 Er7 Se5 177.80(3) 13 . ?
Se8 Er7 Se4 177.72(3) . 12_666 ?
Se11 Er7 Se4 89.87(3) 13 12_666 ?
Se7 Er7 Se4 85.82(3) 13 12_666 ?
Se9 Er7 Se4 89.45(4) 13 12_666 ?
Se5 Er7 Se4 88.49(3) . 12_666 ?
Se8 Er7 Er2 45.10(3) . 13 ?
Se11 Er7 Er2 46.84(3) 13 13 ?
Se7 Er7 Er2 137.44(3) 13 13 ?
Se9 Er7 Er2 90.92(3) 13 13 ?
Se5 Er7 Er2 91.11(2) . 13 ?
Se4 Er7 Er2 136.69(3) 12_666 13 ?
Se8 Er7 Er6 43.96(2) . . ?
Se11 Er7 Er6 91.89(2) 13 . ?
Se7 Er7 Er6 90.65(2) 13 . ?
Se9 Er7 Er6 135.91(3) 13 . ?
Se5 Er7 Er6 46.13(2) . . ?
Se4 Er7 Er6 134.61(3) 12_666 . ?
Er2 Er7 Er6 59.783(14) 13 . ?
Se8 Er7 Cs1 125.17(3) . 12_666 ?
Se11 Er7 Cs1 53.02(3) 13 12_666 ?
Se7 Er7 Cs1 123.37(3) 13 12_666 ?
Se9 Er7 Cs1 123.07(3) 13 12_666 ?
Se5 Er7 Cs1 56.11(2) . 12_666 ?
Se4 Er7 Cs1 55.18(2) 12_666 12_666 ?
Er2 Er7 Cs1 89.61(2) 13 12_666 ?
Er6 Er7 Cs1 91.231(15) . 12_666 ?
Se8 Er7 Cs1 56.53(3) . 13 ?
Se11 Er7 Cs1 124.86(3) 13 13 ?
Se7 Er7 Cs1 58.58(3) 13 13 ?
Se9 Er7 Cs1 53.31(3) 13 13 ?
Se5 Er7 Cs1 127.53(3) . 13 ?
Se4 Er7 Cs1 123.27(3) 12_666 13 ?
Er2 Er7 Cs1 90.21(2) 13 13 ?
Er6 Er7 Cs1 91.812(15) . 13 ?
Cs1 Er7 Cs1 176.367(19) 12_666 13 ?
Se1 Er8 Se7 88.64(4) 12_666 . ?
Se1 Er8 Se4 92.52(3) 12_666 . ?
Se7 Er8 Se4 94.86(3) . . ?
Se1 Er8 Se7 89.70(3) 12_666 13 ?
Se7 Er8 Se7 88.35(3) . 13 ?
Se4 Er8 Se7 176.14(3) . 13 ?
Se1 Er8 Se5 99.65(3) 12_666 . ?
Se7 Er8 Se5 170.31(4) . . ?
Se4 Er8 Se5 89.83(3) . . ?
Se7 Er8 Se5 86.68(3) 13 . ?
Se1 Er8 Se2 174.44(4) 12_666 . ?
Se7 Er8 Se2 85.82(3) . . ?
Se4 Er8 Se2 87.66(4) . . ?
Se7 Er8 Se2 90.44(4) 13 . ?
Se5 Er8 Se2 85.91(3) . . ?
Se1 Er8 Er5 44.27(2) 12_666 12_666 ?
Se7 Er8 Er5 91.63(2) . 12_666 ?
Se4 Er8 Er5 136.15(3) . 12_666 ?
Se7 Er8 Er5 45.67(2) 13 12_666 ?
Se5 Er8 Er5 90.84(2) . 12_666 ?
Se2 Er8 Er5 136.11(3) . 12_666 ?
Se1 Er8 Cs1 53.94(3) 12_666 . ?
Se7 Er8 Cs1 59.62(3) . . ?
Se4 Er8 Cs1 55.14(3) . . ?
Se7 Er8 Cs1 128.61(3) 13 . ?
Se5 Er8 Cs1 129.60(3) . . ?
Se2 Er8 Cs1 122.34(3) . . ?
Er5 Er8 Cs1 92.735(15) 12_666 . ?
Cd5 Se1 Er5 115.54(4) . . ?
Cd5 Se1 Er8 116.20(4) . 15 ?
Er5 Se1 Er8 91.06(3) . 15 ?
Cd5 Se1 Cs1 93.52(3) . 15 ?
Er5 Se1 Cs1 146.19(5) . 15 ?
Er8 Se1 Cs1 91.02(3) 15 15 ?
Cd5 Se1 Cs1 93.08(3) . 12_666 ?
Er5 Se1 Cs1 90.39(3) . 12_666 ?
Er8 Se1 Cs1 146.48(5) 15 12_666 ?
Cs1 Se1 Cs1 70.13(4) 15 12_666 ?
Cd1 Se2 Er5 95.50(3) . 8_444 ?
Er1 Se2 Er5 95.50(3) . 8_444 ?
Cd1 Se2 Er6 94.24(3) . . ?
Er1 Se2 Er6 94.24(3) . . ?
Er5 Se2 Er6 168.89(5) 8_444 . ?
Cd1 Se2 Er8 90.92(3) . . ?
Er1 Se2 Er8 90.92(3) . . ?
Er5 Se2 Er8 92.22(3) 8_444 . ?
Er6 Se2 Er8 92.97(3) . . ?
Cd1 Se2 Cs1 131.81(4) . 10_656 ?
Er1 Se2 Cs1 131.81(4) . 10_656 ?
Er5 Se2 Cs1 84.42(3) 8_444 10_656 ?
Er6 Se2 Cs1 85.10(3) . 10_656 ?
Er8 Se2 Cs1 137.27(4) . 10_656 ?
Cd4 Se3 Er6 92.65(3) 2_554 . ?
Er4 Se3 Er6 92.65(3) 2_554 . ?
Cd4 Se3 Cd3 89.84(3) 2_554 8_443 ?
Er6 Se3 Cd3 176.52(5) . 8_443 ?
Er4 Se3 Er3 89.84(3) 2_554 8_443 ?
Er6 Se3 Er3 176.52(5) . 8_443 ?
Er4 Se3 Er2 92.26(3) 2_554 13 ?
Er6 Se3 Er2 85.68(3) . 13 ?
Er3 Se3 Er2 91.81(3) 8_443 13 ?
Cd4 Se3 Cd2 92.26(3) 2_554 13 ?
Er6 Se3 Cd2 85.68(3) . 13 ?
Cd3 Se3 Cd2 91.81(3) 8_443 13 ?
Cd4 Se3 Cd1 90.69(3) 2_554 7_444 ?
Er6 Se3 Cd1 92.87(3) . 7_444 ?
Cd3 Se3 Cd1 89.52(3) 8_443 7_444 ?
Cd2 Se3 Cd1 176.77(4) 13 7_444 ?
Er4 Se3 Er1 90.69(3) 2_554 7_444 ?
Er6 Se3 Er1 92.87(3) . 7_444 ?
Er3 Se3 Er1 89.52(3) 8_443 7_444 ?
Er2 Se3 Er1 176.77(4) 13 7_444 ?
Er8 Se4 Cd1 91.20(3) . . ?
Er8 Se4 Er1 91.20(3) . . ?
Er8 Se4 Er5 89.80(3) . . ?
Cd1 Se4 Er5 93.37(3) . . ?
Er1 Se4 Er5 93.37(3) . . ?
Er8 Se4 Er7 176.87(4) . 15 ?
Cd1 Se4 Er7 89.18(3) . 15 ?
Er1 Se4 Er7 89.18(3) . 15 ?
Er5 Se4 Er7 93.28(3) . 15 ?
Er8 Se4 Cs1 89.02(3) . . ?
Cd1 Se4 Cs1 130.94(4) . . ?
Er1 Se4 Cs1 130.94(4) . . ?
Er5 Se4 Cs1 135.69(4) . . ?
Er7 Se4 Cs1 88.39(3) 15 . ?
Er5 Se5 Er7 175.50(4) . . ?
Er5 Se5 Er8 89.74(3) . . ?
Er7 Se5 Er8 92.75(3) . . ?
Er5 Se5 Er6 95.41(3) . . ?
Er7 Se5 Er6 88.19(3) . . ?
Er8 Se5 Er6 93.20(3) . . ?
Er5 Se5 Cs1 87.71(3) . 12_666 ?
Er7 Se5 Cs1 87.87(3) . 12_666 ?
Er8 Se5 Cs1 133.94(4) . 12_666 ?
Er6 Se5 Cs1 132.83(4) . 12_666 ?
Cd10 Se6 Cd4 125.00(11) . 9_556 ?
Cd10 Se6 Er4 125.00(11) . 9_556 ?
Cd10 Se6 Er3 121.25(11) . . ?
Er4 Se6 Er3 90.18(3) 9_556 . ?
Cd10 Se6 Cd3 121.25(11) . . ?
Cd4 Se6 Cd3 90.18(3) 9_556 . ?
Cd10 Se6 Cd2 125.4(2) . 15_556 ?
Cd4 Se6 Cd2 91.77(4) 9_556 15_556 ?
Cd3 Se6 Cd2 93.65(4) . 15_556 ?
Cd10 Se6 Er2 125.4(2) . 15_556 ?
Er4 Se6 Er2 91.77(4) 9_556 15_556 ?
Er3 Se6 Er2 93.65(4) . 15_556 ?
Cd10 Se6 Cd2 51.82(9) . . ?
Cd4 Se6 Cd2 174.74(5) 9_556 . ?
Cd3 Se6 Cd2 88.74(3) . . ?
Cd2 Se6 Cd2 93.43(4) 15_556 . ?
Cd10 Se6 Er2 51.82(9) . . ?
Er4 Se6 Er2 174.74(5) 9_556 . ?
Er3 Se6 Er2 88.74(3) . . ?
Er2 Se6 Er2 93.43(4) 15_556 . ?
Cd10 Se6 Cd2 51.65(9) . 6_454 ?
Cd4 Se6 Cd2 92.83(3) 9_556 6_454 ?
Cd3 Se6 Cd2 172.47(5) . 6_454 ?
Cd2 Se6 Cd2 93.15(4) 15_556 6_454 ?
Cd2 Se6 Cd2 87.63(3) . 6_454 ?
Cd10 Se6 Er2 51.65(9) . 6_454 ?
Er4 Se6 Er2 92.83(3) 9_556 6_454 ?
Er3 Se6 Er2 172.47(5) . 6_454 ?
Er2 Se6 Er2 93.15(4) 15_556 6_454 ?
Er2 Se6 Er2 87.63(3) . 6_454 ?
Er5 Se7 Er8 93.95(3) 8_444 . ?
Er5 Se7 Er7 94.65(3) 8_444 13 ?
Er8 Se7 Er7 170.36(4) . 13 ?
Er5 Se7 Er8 87.93(3) 8_444 13 ?
Er8 Se7 Er8 91.65(3) . 13 ?
Er7 Se7 Er8 92.99(3) 13 13 ?
Er5 Se7 Cs1 134.32(3) 8_444 . ?
Er8 Se7 Cs1 84.73(3) . . ?
Er7 Se7 Cs1 86.15(3) 13 . ?
Er8 Se7 Cs1 137.71(3) 13 . ?
Cd10 Se8 Er6 123.19(10) 13 . ?
Cd10 Se8 Er7 125.31(11) 13 . ?
Er6 Se8 Er7 91.62(3) . . ?
Cd10 Se8 Cd2 53.5(2) 13 13 ?
Er6 Se8 Cd2 90.57(4) . 13 ?
Er7 Se8 Cd2 90.01(4) . 13 ?
Cd10 Se8 Er2 53.5(2) 13 13 ?
Er6 Se8 Er2 90.57(4) . 13 ?
Er7 Se8 Er2 90.01(4) . 13 ?
Cd10 Se8 Cs1 89.46(17) 13 13 ?
Er6 Se8 Cs1 137.76(4) . 13 ?
Er7 Se8 Cs1 88.86(3) . 13 ?
Cd2 Se8 Cs1 131.67(4) 13 13 ?
Er2 Se8 Cs1 131.67(4) 13 13 ?
Cd10 Se8 Cs1 88.27(17) 13 10_656 ?
Er6 Se8 Cs1 86.82(3) . 10_656 ?
Er7 Se8 Cs1 138.96(4) . 10_656 ?
Cd2 Se8 Cs1 130.98(4) 13 10_656 ?
Er2 Se8 Cs1 130.98(4) 13 10_656 ?
Cs1 Se8 Cs1 66.39(3) 13 10_656 ?
Cd1 Se9 Er7 90.87(3) 8_444 13 ?
Er1 Se9 Er7 90.87(3) 8_444 13 ?
Cd1 Se9 Cd4 93.10(3) 8_444 . ?
Er7 Se9 Cd4 175.99(5) 13 . ?
Er1 Se9 Er4 93.10(3) 8_444 . ?
Er7 Se9 Er4 175.99(5) 13 . ?
Cd1 Se9 Cd3 90.85(3) 8_444 . ?
Er7 Se9 Cd3 90.03(3) 13 . ?
Cd4 Se9 Cd3 90.48(3) . . ?
Er1 Se9 Er3 90.85(3) 8_444 . ?
Er7 Se9 Er3 90.03(3) 13 . ?
Er4 Se9 Er3 90.48(3) . . ?
Cd1 Se9 Cs1 134.88(4) 8_444 . ?
Er1 Se9 Cs1 134.88(4) 8_444 . ?
Er7 Se9 Cs1 91.31(3) 13 . ?
Cd4 Se9 Cs1 85.48(3) . . ?
Er4 Se9 Cs1 85.48(3) . . ?
Cd3 Se9 Cs1 134.20(4) . . ?
Er3 Se9 Cs1 134.20(4) . . ?
Er1 Se10 Er1 174.28(4) 7_444 . ?
Cd1 Se10 Cd1 174.28(4) 7_444 . ?
Cd1 Se10 Er6 94.43(3) 7_444 . ?
Er1 Se10 Er6 94.43(3) 7_444 . ?
Er1 Se10 Er6 91.16(3) . . ?
Cd1 Se10 Er6 91.16(3) . . ?
Cd1 Se10 Cd3 88.41(3) 7_444 2_554 ?
Cd1 Se10 Cd3 90.32(3) . 2_554 ?
Er6 Se10 Cd3 90.64(3) . 2_554 ?
Er1 Se10 Er3 88.41(3) 7_444 2_554 ?
Er1 Se10 Er3 90.32(3) . 2_554 ?
Er6 Se10 Er3 90.64(3) . 2_554 ?
Cd1 Se10 Er5 90.36(3) 7_444 . ?
Er1 Se10 Er5 90.36(3) 7_444 . ?
Er1 Se10 Er5 90.66(3) . . ?
Cd1 Se10 Er5 90.66(3) . . ?
Er6 Se10 Er5 91.92(3) . . ?
Cd3 Se10 Er5 177.24(4) 2_554 . ?
Er3 Se10 Er5 177.24(4) 2_554 . ?
Cd3 Se11 Er7 91.22(3) . 13 ?
Er3 Se11 Er7 91.22(3) . 13 ?
Cd3 Se11 Cd4 92.12(3) . 8_444 ?
Er7 Se11 Cd4 176.57(4) 13 8_444 ?
Er3 Se11 Er4 92.12(3) . 8_444 ?
Er7 Se11 Er4 176.57(4) 13 8_444 ?
Cd3 Se11 Cd2 89.91(3) . . ?
Er7 Se11 Cd2 87.32(3) 13 . ?
Cd4 Se11 Cd2 91.91(3) 8_444 . ?
Er3 Se11 Er2 89.91(3) . . ?
Er7 Se11 Er2 87.32(3) 13 . ?
Er4 Se11 Er2 91.91(3) 8_444 . ?
Cd3 Se11 Cs1 136.12(4) . 8_444 ?
Er3 Se11 Cs1 136.12(4) . 8_444 ?
Er7 Se11 Cs1 91.12(3) 13 8_444 ?
Cd4 Se11 Cs1 87.01(3) 8_444 8_444 ?
Er4 Se11 Cs1 87.01(3) 8_444 8_444 ?
Cd2 Se11 Cs1 133.97(4) . 8_444 ?
Er2 Se11 Cs1 133.97(4) . 8_444 ?
Cd4 Se12 Cd3 91.68(3) 10_656 2_554 ?
Er4 Se12 Er3 91.68(3) 10_656 2_554 ?
Cd4 Se12 Er6 173.68(4) 10_656 . ?
Er4 Se12 Er6 173.68(4) 10_656 . ?
Cd3 Se12 Er6 93.28(3) 2_554 . ?
Er3 Se12 Er6 93.28(3) 2_554 . ?
Er4 Se12 Er4 91.10(3) 10_656 2_554 ?
Er3 Se12 Er4 90.71(3) 2_554 2_554 ?
Er6 Se12 Er4 92.75(3) . 2_554 ?
Cd4 Se12 Cd4 91.10(3) 10_656 2_554 ?
Cd3 Se12 Cd4 90.71(3) 2_554 2_554 ?
Er6 Se12 Cd4 92.75(3) . 2_554 ?
Cd4 Se12 Cs1 84.96(3) 10_656 10_656 ?
Er4 Se12 Cs1 84.96(3) 10_656 10_656 ?
Cd3 Se12 Cs1 133.54(4) 2_554 10_656 ?
Er3 Se12 Cs1 133.54(4) 2_554 10_656 ?
Er6 Se12 Cs1 88.78(3) . 10_656 ?
Er4 Se12 Cs1 135.59(4) 2_554 10_656 ?
Cd4 Se12 Cs1 135.59(4) 2_554 10_656 ?
Er2 Cd10 Er2 112.4(4) 6_454 . ?
Cd2 Cd10 Cd2 112.4(4) 6_454 . ?
Cd2 Cd10 Se8 69.09(4) 6_454 10_556 ?
Er2 Cd10 Se8 69.09(4) 6_454 10_556 ?
Er2 Cd10 Se8 178.5(4) . 10_556 ?
Cd2 Cd10 Se8 178.5(4) . 10_556 ?
Cd2 Cd10 Se8 178.5(4) 6_454 13 ?
Er2 Cd10 Se8 178.5(4) 6_454 13 ?
Er2 Cd10 Se8 69.09(4) . 13 ?
Cd2 Cd10 Se8 69.09(4) . 13 ?
Se8 Cd10 Se8 109.4(4) 10_556 13 ?
Cd2 Cd10 Se6 70.7(2) 6_454 . ?
Er2 Cd10 Se6 70.7(2) 6_454 . ?
Er2 Cd10 Se6 70.3(2) . . ?
Cd2 Cd10 Se6 70.3(2) . . ?
Se8 Cd10 Se6 110.50(4) 10_556 . ?
Se8 Cd10 Se6 110.12(3) 13 . ?
Cd2 Cd10 Se6 70.3(2) 6_454 6_454 ?
Er2 Cd10 Se6 70.3(2) 6_454 6_454 ?
Er2 Cd10 Se6 70.7(2) . 6_454 ?
Cd2 Cd10 Se6 70.7(2) . 6_454 ?
Se8 Cd10 Se6 110.12(3) 10_556 6_454 ?
Se8 Cd10 Se6 110.50(4) 13 6_454 ?
Se6 Cd10 Se6 106.2(4) . 6_454 ?

_refine_diff_density_max         2.528
_refine_diff_density_min         -2.913
_refine_diff_density_rms         0.465


####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Cs4Tm26Cd7Se48
_database_code_depnum_ccdc_archive 'CCDC 2034254'
loop_
_audit_author_name
_audit_author_address
'Hua Lin'
;Fujian Institute of Research on the Structure of Matter, CAS
China
;
_audit_update_record             
;
2020-09-28 deposited with the CCDC.	2020-11-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Cd7 Cs4 Se48 Tm26'
_chemical_formula_weight         9500.70

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tm Tm -0.3139 5.2483 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      tetragonal
_space_group_IT_number           88
_space_group_name_H-M_alt        'I 41/a'
_space_group_name_Hall           '-I 4ad'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-y+3/4, x+1/4, z+1/4'
'y+3/4, -x+3/4, z+3/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1/2, z+1'
'-y+5/4, x+3/4, z+3/4'
'y+5/4, -x+5/4, z+5/4'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'y-3/4, -x-1/4, -z-1/4'
'-y-3/4, x-3/4, -z-3/4'
'-x+1/2, -y+1/2, -z+1/2'
'x, y+1/2, -z'
'y-1/4, -x+1/4, -z+1/4'
'-y-1/4, x-1/4, -z-1/4'

_cell_length_a                   20.5073(3)
_cell_length_b                   20.5073(3)
_cell_length_c                   22.6556(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     9527.8(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    12298
_cell_measurement_theta_min      3.1126
_cell_measurement_theta_max      27.4449

_exptl_crystal_description       Prism
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    6.623
_exptl_crystal_F_000             15928
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.1400
_exptl_crystal_size_mid          0.1400
_exptl_crystal_size_min          0.1200
_exptl_absorpt_coefficient_mu    45.293
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.4866
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  Mercury70
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_detector_area_resol_mean 14.6306
_diffrn_reflns_number            37149
_diffrn_reflns_av_unetI/netI     0.0377
_diffrn_reflns_av_R_equivalents  0.0609
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.281
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.988
_reflns_number_total             5410
_reflns_number_gt                4167
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0311P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_extinction_coef       0.000077(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         5410
_refine_ls_number_parameters     203
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0298
_refine_ls_wR_factor_ref         0.0681
_refine_ls_wR_factor_gt          0.0655
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_restrained_S_all      1.085
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cs1 Cs 0.02180(3) 0.14323(3) 0.31405(3) 0.03329(15) Uani 1 1 d . . . . .
Tm1 Tm 0.24733(2) 0.00129(2) 0.18707(2) 0.01273(9) Uani 0.6986(2) 1 d . . P A 1
Cd1 Cd 0.24733(2) 0.00129(2) 0.18707(2) 0.01273(9) Uani 0.3014(2) 1 d . . P A 2
Tm2 Tm 0.09494(2) 0.26708(2) 0.55748(2) 0.01074(10) Uani 0.3263(2) 1 d . . P B
1
Cd2 Cd 0.09494(2) 0.26708(2) 0.55748(2) 0.01074(10) Uani 0.6737(2) 1 d . . P B
2
Tm3 Tm 0.13469(2) 0.07717(2) 0.56152(2) 0.01226(9) Uani 0.6250(2) 1 d . . P B 1
Cd3 Cd 0.13469(2) 0.07717(2) 0.56152(2) 0.01226(9) Uani 0.3750(2) 1 d . . P B 2
Tm4 Tm 0.05647(2) -0.03574(2) 0.43481(2) 0.00801(8) Uani 0.9038(2) 1 d . . P B
1
Cd4 Cd 0.05647(2) -0.03574(2) 0.43481(2) 0.00801(8) Uani 0.0962(2) 1 d . . P B
2
Cd5 Cd 0.0000 0.2500 0.1250 0.0145(2) Uani 1 4 d S T P . .
Tm5 Tm 0.13023(2) 0.08477(2) 0.06000(2) 0.00659(7) Uani 1 1 d . . . . .
Tm6 Tm 0.33097(2) 0.11947(2) 0.06439(2) 0.00766(8) Uani 1 1 d . . . . .
Tm7 Tm 0.29027(2) 0.30739(2) 0.06306(2) 0.00616(7) Uani 1 1 d . . . . .
Tm8 Tm 0.20446(2) 0.19313(2) 0.18965(2) 0.00569(7) Uani 1 1 d . . . . .
Se1 Se 0.01842(3) 0.15597(3) 0.04651(3) 0.01009(14) Uani 1 1 d . . . . .
Se2 Se 0.32121(3) 0.11345(3) 0.18737(3) 0.00753(14) Uani 1 1 d . . . . .
Se3 Se 0.32989(3) 0.11326(3) -0.06174(3) 0.00700(15) Uani 1 1 d . . . . .
Se4 Se 0.13190(3) 0.07696(3) 0.18490(3) 0.00923(15) Uani 1 1 d . . . . .
Se5 Se 0.21350(3) 0.19317(3) 0.06448(3) 0.00559(13) Uani 1 1 d . . . . .
Se6 Se 0.01825(3) 0.15151(3) 0.56679(3) 0.00999(15) Uani 1 1 d . . . . .
Se7 Se 0.21849(3) 0.19184(3) 0.31309(3) 0.00540(13) Uani 1 1 d . . . . .
Se8 Se 0.40205(3) 0.23237(3) 0.06507(3) 0.01320(16) Uani 1 1 d . . . . .
Se9 Se 0.13735(3) 0.07603(3) 0.43666(3) 0.00947(15) Uani 1 1 d . . . . .
Se10 Se 0.25079(3) 0.00570(3) 0.06191(3) 0.00663(15) Uani 1 1 d . . . . .
Se11 Se 0.21055(3) 0.18933(3) 0.56100(3) 0.01057(14) Uani 1 1 d . . . . .
Se12 Se 0.44115(3) 0.03650(3) 0.06058(3) 0.00786(14) Uani 1 1 d . . . . .
Cd10 Cd 0.0000 0.2500 0.4995(3) 0.008(2) Uani 0.107(3) 2 d S T P B .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cs1 Se11 3.8306(8) 7_444 ?
Cs1 Se1 3.8806(8) 12_666 ?
Cs1 Se1 3.8988(9) 15 ?
Cs1 Se9 3.9027(9) . ?
Cs1 Se4 3.9377(9) . ?
Cs1 Se12 3.9489(8) 10_556 ?
Cs1 Se5 3.9836(8) 15 ?
Cs1 Se8 4.0555(9) 13 ?
Cs1 Se8 4.1075(9) 10_556 ?
Cs1 Se7 4.1549(8) . ?
Cs1 Se2 4.1587(8) 10_556 ?
Cs1 Cs1 4.4697(11) 6_454 ?
Tm1 Se2 2.7544(7) . ?
Tm1 Se9 2.7790(7) 7_444 ?
Tm1 Se4 2.8307(7) . ?
Tm1 Se10 2.8338(8) 8_444 ?
Tm1 Se10 2.8380(8) . ?
Tm1 Se3 2.9025(7) 8_444 ?
Cd1 Se2 2.7544(7) . ?
Cd1 Se9 2.7790(7) 7_444 ?
Cd1 Se4 2.8307(7) . ?
Cd1 Se10 2.8338(8) 8_444 ?
Cd1 Se10 2.8380(8) . ?
Cd1 Se3 2.9025(7) 8_444 ?
Tm2 Cd10 2.375(3) . ?
Tm2 Se8 2.7772(8) 13 ?
Tm2 Se6 2.8496(8) 12_667 ?
Tm2 Se6 2.8522(7) . ?
Tm2 Se11 2.8582(8) . ?
Tm2 Se6 2.8671(7) 6_454 ?
Tm2 Se3 2.8996(7) 13 ?
Tm2 Tm7 3.9154(5) 13 ?
Tm2 Tm6 3.9171(5) 13 ?
Cd2 Cd10 2.375(3) . ?
Cd2 Se8 2.7772(8) 13 ?
Cd2 Se6 2.8496(8) 12_667 ?
Cd2 Se6 2.8522(7) . ?
Cd2 Se11 2.8582(8) . ?
Cd2 Se6 2.8671(7) 6_454 ?
Cd2 Se3 2.8996(7) 13 ?
Tm3 Se11 2.7769(7) . ?
Tm3 Se12 2.8023(7) 2 ?
Tm3 Se9 2.8293(8) . ?
Tm3 Se6 2.8355(7) . ?
Tm3 Se3 2.8724(7) 7_445 ?
Tm3 Se10 2.8988(7) 2 ?
Cd3 Se11 2.7769(7) . ?
Cd3 Se12 2.8023(7) 2 ?
Cd3 Se9 2.8293(8) . ?
Cd3 Se6 2.8355(7) . ?
Cd3 Se3 2.8724(7) 7_445 ?
Cd3 Se10 2.8988(7) 2 ?
Tm4 Se12 2.7927(6) 10_556 ?
Tm4 Se11 2.8075(7) 7_444 ?
Tm4 Se3 2.8219(7) 2 ?
Tm4 Se6 2.8259(7) 9_556 ?
Tm4 Se9 2.8297(7) . ?
Tm4 Se12 2.8498(7) 2 ?
Cd4 Se12 2.7927(6) 10_556 ?
Cd4 Se11 2.8075(7) 7_444 ?
Cd4 Se3 2.8219(7) 2 ?
Cd4 Se6 2.8259(7) 9_556 ?
Cd4 Se9 2.8297(7) . ?
Cd4 Se12 2.8498(7) 2 ?
Cd5 Se1 2.6501(7) . ?
Cd5 Se1 2.6501(7) 12_666 ?
Cd5 Se1 2.6501(7) 15 ?
Cd5 Se1 2.6501(7) 6_454 ?
Tm5 Se1 2.7354(7) . ?
Tm5 Se2 2.7951(7) 7_444 ?
Tm5 Se5 2.8050(6) . ?
Tm5 Se7 2.8064(7) 7_444 ?
Tm5 Se4 2.8345(7) . ?
Tm5 Se10 2.9570(6) . ?
Tm5 Tm8 3.9203(4) 15 ?
Tm5 Cs1 4.7791(6) 12_666 ?
Tm6 Se8 2.7359(7) . ?
Tm6 Se2 2.7961(7) . ?
Tm6 Se12 2.8298(6) . ?
Tm6 Se5 2.8439(6) . ?
Tm6 Se10 2.8550(6) . ?
Tm6 Se3 2.8604(7) . ?
Tm6 Tm2 3.9171(5) 13 ?
Tm6 Cs1 4.8101(6) 10_656 ?
Tm7 Se8 2.7611(7) . ?
Tm7 Se11 2.8115(7) 13 ?
Tm7 Se7 2.8116(6) 13 ?
Tm7 Se9 2.8140(7) 13 ?
Tm7 Se5 2.8224(6) . ?
Tm7 Se4 2.8488(7) 12_666 ?
Tm7 Tm2 3.9155(5) 13 ?
Tm7 Cs1 4.7943(6) 12_666 ?
Tm7 Cs1 4.8611(6) 13 ?
Tm8 Se1 2.7586(7) 12_666 ?
Tm8 Se4 2.8109(7) . ?
Tm8 Se7 2.8115(7) . ?
Tm8 Se7 2.8399(6) 13 ?
Tm8 Se5 2.8420(7) . ?
Tm8 Se2 2.8992(7) . ?
Tm8 Tm5 3.9204(4) 12_666 ?
Se1 Tm8 2.7586(7) 15 ?
Se1 Cs1 3.8807(8) 15 ?
Se1 Cs1 3.8987(9) 12_666 ?
Se2 Tm5 2.7950(7) 8_444 ?
Se2 Cs1 4.1586(8) 10_656 ?
Se3 Cd4 2.8218(7) 2_554 ?
Se3 Tm4 2.8218(7) 2_554 ?
Se3 Cd3 2.8722(7) 8_443 ?
Se3 Tm3 2.8722(7) 8_443 ?
Se3 Tm2 2.8995(7) 13 ?
Se3 Cd2 2.8995(7) 13 ?
Se3 Cd1 2.9025(7) 7_444 ?
Se3 Tm1 2.9025(7) 7_444 ?
Se4 Tm7 2.8489(7) 15 ?
Se5 Cs1 3.9834(8) 12_666 ?
Se6 Cd10 2.558(3) . ?
Se6 Cd4 2.8259(7) 9_556 ?
Se6 Tm4 2.8259(7) 9_556 ?
Se6 Cd2 2.8496(8) 15_556 ?
Se6 Tm2 2.8496(8) 15_556 ?
Se6 Cd2 2.8672(7) 6_454 ?
Se6 Tm2 2.8672(7) 6_454 ?
Se7 Tm5 2.8065(7) 8_444 ?
Se7 Tm7 2.8116(6) 13 ?
Se7 Tm8 2.8400(6) 13 ?
Se8 Cd10 2.511(3) 13 ?
Se8 Cd2 2.7772(8) 13 ?
Se8 Tm2 2.7772(8) 13 ?
Se8 Cs1 4.0556(9) 13 ?
Se8 Cs1 4.1076(9) 10_656 ?
Se9 Cd1 2.7790(7) 8_444 ?
Se9 Tm1 2.7790(7) 8_444 ?
Se9 Tm7 2.8140(7) 13 ?
Se10 Cd1 2.8337(8) 7_444 ?
Se10 Tm1 2.8337(8) 7_444 ?
Se10 Cd3 2.8989(7) 2_554 ?
Se10 Tm3 2.8989(7) 2_554 ?
Se11 Cd4 2.8073(7) 8_444 ?
Se11 Tm4 2.8073(7) 8_444 ?
Se11 Tm7 2.8115(7) 13 ?
Se11 Cs1 3.8306(8) 8_444 ?
Se12 Cd4 2.7928(6) 10_656 ?
Se12 Tm4 2.7928(6) 10_656 ?
Se12 Cd3 2.8024(7) 2_554 ?
Se12 Tm3 2.8024(7) 2_554 ?
Se12 Tm4 2.8499(7) 2_554 ?
Se12 Cd4 2.8499(7) 2_554 ?
Se12 Cs1 3.9488(8) 10_656 ?
Cd10 Cd2 2.375(3) 6_454 ?
Cd10 Tm2 2.375(3) 6_454 ?
Cd10 Se8 2.511(3) 10_556 ?
Cd10 Se8 2.511(3) 13 ?
Cd10 Se6 2.558(3) 6_454 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Se11 Cs1 Se1 123.77(2) 7_444 12_666 ?
Se11 Cs1 Se1 124.73(2) 7_444 15 ?
Se1 Cs1 Se1 60.69(2) 12_666 15 ?
Se11 Cs1 Se9 62.690(16) 7_444 . ?
Se1 Cs1 Se9 117.468(19) 12_666 . ?
Se1 Cs1 Se9 172.46(2) 15 . ?
Se11 Cs1 Se4 61.950(16) 7_444 . ?
Se1 Cs1 Se4 61.955(15) 12_666 . ?
Se1 Cs1 Se4 91.855(18) 15 . ?
Se9 Cs1 Se4 93.376(18) . . ?
Se11 Cs1 Se12 63.777(16) 7_444 10_556 ?
Se1 Cs1 Se12 172.23(2) 12_666 10_556 ?
Se1 Cs1 Se12 117.678(18) 15 10_556 ?
Se9 Cs1 Se12 63.041(15) . 10_556 ?
Se4 Cs1 Se12 125.687(19) . 10_556 ?
Se11 Cs1 Se5 62.208(16) 7_444 15 ?
Se1 Cs1 Se5 92.646(18) 12_666 15 ?
Se1 Cs1 Se5 62.555(15) 15 15 ?
Se9 Cs1 Se5 124.896(18) . 15 ?
Se4 Cs1 Se5 59.956(15) . 15 ?
Se12 Cs1 Se5 92.966(17) 10_556 15 ?
Se11 Cs1 Se8 123.18(2) 7_444 13 ?
Se1 Cs1 Se8 82.686(18) 12_666 13 ?
Se1 Cs1 Se8 112.090(19) 15 13 ?
Se9 Cs1 Se8 60.507(16) . 13 ?
Se4 Cs1 Se8 119.874(19) . 13 ?
Se12 Cs1 Se8 91.388(18) 10_556 13 ?
Se5 Cs1 Se8 174.31(2) 15 13 ?
Se11 Cs1 Se8 124.87(2) 7_444 10_556 ?
Se1 Cs1 Se8 111.354(19) 12_666 10_556 ?
Se1 Cs1 Se8 81.792(18) 15 10_556 ?
Se9 Cs1 Se8 92.613(19) . 10_556 ?
Se4 Cs1 Se8 172.65(2) . 10_556 ?
Se12 Cs1 Se8 61.098(15) 10_556 10_556 ?
Se5 Cs1 Se8 119.331(18) 15 10_556 ?
Se8 Cs1 Se8 60.00(2) 13 10_556 ?
Se11 Cs1 Se7 91.866(17) 7_444 . ?
Se1 Cs1 Se7 57.814(14) 12_666 . ?
Se1 Cs1 Se7 118.464(19) 15 . ?
Se9 Cs1 Se7 59.933(14) . . ?
Se4 Cs1 Se7 61.467(14) . . ?
Se12 Cs1 Se7 122.912(18) 10_556 . ?
Se5 Cs1 Se7 121.397(18) 15 . ?
Se8 Cs1 Se7 58.585(15) 13 . ?
Se8 Cs1 Se7 118.493(19) 10_556 . ?
Se11 Cs1 Se2 93.561(18) 7_444 10_556 ?
Se1 Cs1 Se2 118.015(19) 12_666 10_556 ?
Se1 Cs1 Se2 57.357(14) 15 10_556 ?
Se9 Cs1 Se2 123.659(19) . 10_556 ?
Se4 Cs1 Se2 120.713(19) . 10_556 ?
Se12 Cs1 Se2 60.652(14) 10_556 10_556 ?
Se5 Cs1 Se2 60.877(14) 15 10_556 ?
Se8 Cs1 Se2 118.584(19) 13 10_556 ?
Se8 Cs1 Se2 58.609(14) 10_556 10_556 ?
Se7 Cs1 Se2 174.508(19) . 10_556 ?
Se11 Cs1 Cs1 178.862(17) 7_444 6_454 ?
Se1 Cs1 Cs1 55.121(14) 12_666 6_454 ?
Se1 Cs1 Cs1 54.742(14) 15 6_454 ?
Se9 Cs1 Cs1 117.867(16) . 6_454 ?
Se4 Cs1 Cs1 116.926(15) . 6_454 ?
Se12 Cs1 Cs1 117.339(15) 10_556 6_454 ?
Se5 Cs1 Cs1 117.215(15) 15 6_454 ?
Se8 Cs1 Cs1 57.361(13) 13 6_454 ?
Se8 Cs1 Cs1 56.245(13) 10_556 6_454 ?
Se7 Cs1 Cs1 87.655(18) . 6_454 ?
Se2 Cs1 Cs1 86.904(17) 10_556 6_454 ?
Se2 Tm1 Se9 179.40(2) . 7_444 ?
Se2 Tm1 Se4 90.134(19) . . ?
Se9 Tm1 Se4 90.468(19) 7_444 . ?
Se2 Tm1 Se10 88.67(2) . 8_444 ?
Se9 Tm1 Se10 91.34(2) 7_444 8_444 ?
Se4 Tm1 Se10 94.38(2) . 8_444 ?
Se2 Tm1 Se10 87.83(2) . . ?
Se9 Tm1 Se10 92.12(2) 7_444 . ?
Se4 Tm1 Se10 89.20(2) . . ?
Se10 Tm1 Se10 175.00(2) 8_444 . ?
Se2 Tm1 Se3 91.627(19) . 8_444 ?
Se9 Tm1 Se3 87.771(19) 7_444 8_444 ?
Se4 Tm1 Se3 178.18(2) . 8_444 ?
Se10 Tm1 Se3 86.13(2) 8_444 8_444 ?
Se10 Tm1 Se3 90.40(2) . 8_444 ?
Se2 Cd1 Se9 179.40(2) . 7_444 ?
Se2 Cd1 Se4 90.134(19) . . ?
Se9 Cd1 Se4 90.468(19) 7_444 . ?
Se2 Cd1 Se10 88.67(2) . 8_444 ?
Se9 Cd1 Se10 91.34(2) 7_444 8_444 ?
Se4 Cd1 Se10 94.38(2) . 8_444 ?
Se2 Cd1 Se10 87.83(2) . . ?
Se9 Cd1 Se10 92.12(2) 7_444 . ?
Se4 Cd1 Se10 89.20(2) . . ?
Se10 Cd1 Se10 175.00(2) 8_444 . ?
Se2 Cd1 Se3 91.627(19) . 8_444 ?
Se9 Cd1 Se3 87.771(19) 7_444 8_444 ?
Se4 Cd1 Se3 178.18(2) . 8_444 ?
Se10 Cd1 Se3 86.13(2) 8_444 8_444 ?
Se10 Cd1 Se3 90.40(2) . 8_444 ?
Cd10 Tm2 Se8 57.70(12) . 13 ?
Cd10 Tm2 Se6 125.12(12) . 12_667 ?
Se8 Tm2 Se6 177.17(2) 13 12_667 ?
Cd10 Tm2 Se6 57.75(6) . . ?
Se8 Tm2 Se6 95.14(2) 13 . ?
Se6 Tm2 Se6 86.97(2) 12_667 . ?
Cd10 Tm2 Se11 127.82(6) . . ?
Se8 Tm2 Se11 90.68(2) 13 . ?
Se6 Tm2 Se11 87.46(2) 12_667 . ?
Se6 Tm2 Se11 89.53(2) . . ?
Cd10 Tm2 Se6 57.51(6) . 6_454 ?
Se8 Tm2 Se6 95.11(2) 13 6_454 ?
Se6 Tm2 Se6 86.68(2) 12_667 6_454 ?
Se6 Tm2 Se6 91.83(2) . 6_454 ?
Se11 Tm2 Se6 173.91(2) . 6_454 ?
Cd10 Tm2 Se3 125.38(5) . 13 ?
Se8 Tm2 Se3 91.03(2) 13 13 ?
Se6 Tm2 Se3 86.91(2) 12_667 13 ?
Se6 Tm2 Se3 173.68(2) . 13 ?
Se11 Tm2 Se3 91.73(2) . 13 ?
Se6 Tm2 Se3 86.28(2) 6_454 13 ?
Cd10 Tm2 Tm7 92.84(10) . 13 ?
Se8 Tm2 Tm7 44.846(15) 13 13 ?
Se6 Tm2 Tm7 133.248(18) 12_667 13 ?
Se6 Tm2 Tm7 93.384(17) . 13 ?
Se11 Tm2 Tm7 45.831(15) . 13 ?
Se6 Tm2 Tm7 139.92(2) 6_454 13 ?
Se3 Tm2 Tm7 91.933(16) 13 13 ?
Cd10 Tm2 Tm6 90.89(10) . 13 ?
Se8 Tm2 Tm6 44.300(15) 13 13 ?
Se6 Tm2 Tm6 133.604(18) 12_667 13 ?
Se6 Tm2 Tm6 139.43(2) . 13 ?
Se11 Tm2 Tm6 91.679(16) . 13 ?
Se6 Tm2 Tm6 91.149(17) 6_454 13 ?
Se3 Tm2 Tm6 46.732(14) 13 13 ?
Tm7 Tm2 Tm6 60.455(8) 13 13 ?
Cd10 Cd2 Se8 57.70(12) . 13 ?
Cd10 Cd2 Se6 125.12(12) . 12_667 ?
Se8 Cd2 Se6 177.17(2) 13 12_667 ?
Cd10 Cd2 Se6 57.75(6) . . ?
Se8 Cd2 Se6 95.14(2) 13 . ?
Se6 Cd2 Se6 86.97(2) 12_667 . ?
Cd10 Cd2 Se11 127.82(6) . . ?
Se8 Cd2 Se11 90.68(2) 13 . ?
Se6 Cd2 Se11 87.46(2) 12_667 . ?
Se6 Cd2 Se11 89.53(2) . . ?
Cd10 Cd2 Se6 57.51(6) . 6_454 ?
Se8 Cd2 Se6 95.11(2) 13 6_454 ?
Se6 Cd2 Se6 86.68(2) 12_667 6_454 ?
Se6 Cd2 Se6 91.83(2) . 6_454 ?
Se11 Cd2 Se6 173.91(2) . 6_454 ?
Cd10 Cd2 Se3 125.38(5) . 13 ?
Se8 Cd2 Se3 91.03(2) 13 13 ?
Se6 Cd2 Se3 86.91(2) 12_667 13 ?
Se6 Cd2 Se3 173.68(2) . 13 ?
Se11 Cd2 Se3 91.73(2) . 13 ?
Se6 Cd2 Se3 86.28(2) 6_454 13 ?
Se11 Tm3 Se12 179.23(3) . 2 ?
Se11 Tm3 Se9 89.53(2) . . ?
Se12 Tm3 Se9 89.79(2) 2 . ?
Se11 Tm3 Se6 91.53(2) . . ?
Se12 Tm3 Se6 88.867(19) 2 . ?
Se9 Tm3 Se6 93.60(2) . . ?
Se11 Tm3 Se3 88.85(2) . 7_445 ?
Se12 Tm3 Se3 91.83(2) 2 7_445 ?
Se9 Tm3 Se3 177.95(2) . 7_445 ?
Se6 Tm3 Se3 87.69(2) . 7_445 ?
Se11 Tm3 Se10 91.81(2) . 2 ?
Se12 Tm3 Se10 87.823(19) 2 2 ?
Se9 Tm3 Se10 89.01(2) . 2 ?
Se6 Tm3 Se10 175.78(2) . 2 ?
Se3 Tm3 Se10 89.79(2) 7_445 2 ?
Se11 Cd3 Se12 179.23(3) . 2 ?
Se11 Cd3 Se9 89.53(2) . . ?
Se12 Cd3 Se9 89.79(2) 2 . ?
Se11 Cd3 Se6 91.53(2) . . ?
Se12 Cd3 Se6 88.867(19) 2 . ?
Se9 Cd3 Se6 93.60(2) . . ?
Se11 Cd3 Se3 88.85(2) . 7_445 ?
Se12 Cd3 Se3 91.83(2) 2 7_445 ?
Se9 Cd3 Se3 177.95(2) . 7_445 ?
Se6 Cd3 Se3 87.69(2) . 7_445 ?
Se11 Cd3 Se10 91.81(2) . 2 ?
Se12 Cd3 Se10 87.823(19) 2 2 ?
Se9 Cd3 Se10 89.01(2) . 2 ?
Se6 Cd3 Se10 175.78(2) . 2 ?
Se3 Cd3 Se10 89.79(2) 7_445 2 ?
Se12 Tm4 Se11 94.46(2) 10_556 7_444 ?
Se12 Tm4 Se3 175.65(2) 10_556 2 ?
Se11 Tm4 Se3 89.26(2) 7_444 2 ?
Se12 Tm4 Se6 89.25(2) 10_556 9_556 ?
Se11 Tm4 Se6 88.92(2) 7_444 9_556 ?
Se3 Tm4 Se6 88.57(2) 2 9_556 ?
Se12 Tm4 Se9 93.79(2) 10_556 . ?
Se11 Tm4 Se9 91.07(2) 7_444 . ?
Se3 Tm4 Se9 88.39(2) 2 . ?
Se6 Tm4 Se9 176.95(2) 9_556 . ?
Se12 Tm4 Se12 88.86(2) 10_556 2 ?
Se11 Tm4 Se12 176.69(2) 7_444 2 ?
Se3 Tm4 Se12 87.424(19) 2 2 ?
Se6 Tm4 Se12 91.01(2) 9_556 2 ?
Se9 Tm4 Se12 88.83(2) . 2 ?
Se12 Tm4 Cs1 58.117(15) 10_556 . ?
Se11 Tm4 Cs1 55.671(15) 7_444 . ?
Se3 Tm4 Cs1 126.112(17) 2 . ?
Se6 Tm4 Cs1 125.083(17) 9_556 . ?
Se9 Tm4 Cs1 57.108(16) . . ?
Se12 Tm4 Cs1 126.687(17) 2 . ?
Se12 Cd4 Se11 94.46(2) 10_556 7_444 ?
Se12 Cd4 Se3 175.65(2) 10_556 2 ?
Se11 Cd4 Se3 89.26(2) 7_444 2 ?
Se12 Cd4 Se6 89.25(2) 10_556 9_556 ?
Se11 Cd4 Se6 88.92(2) 7_444 9_556 ?
Se3 Cd4 Se6 88.57(2) 2 9_556 ?
Se12 Cd4 Se9 93.79(2) 10_556 . ?
Se11 Cd4 Se9 91.07(2) 7_444 . ?
Se3 Cd4 Se9 88.39(2) 2 . ?
Se6 Cd4 Se9 176.95(2) 9_556 . ?
Se12 Cd4 Se12 88.86(2) 10_556 2 ?
Se11 Cd4 Se12 176.69(2) 7_444 2 ?
Se3 Cd4 Se12 87.424(19) 2 2 ?
Se6 Cd4 Se12 91.01(2) 9_556 2 ?
Se9 Cd4 Se12 88.83(2) . 2 ?
Se12 Cd4 Cs1 58.117(15) 10_556 . ?
Se11 Cd4 Cs1 55.671(15) 7_444 . ?
Se3 Cd4 Cs1 126.112(17) 2 . ?
Se6 Cd4 Cs1 125.083(17) 9_556 . ?
Se9 Cd4 Cs1 57.108(16) . . ?
Se12 Cd4 Cs1 126.687(17) 2 . ?
Se1 Cd5 Se1 116.756(17) . 12_666 ?
Se1 Cd5 Se1 116.758(17) . 15 ?
Se1 Cd5 Se1 95.71(3) 12_666 15 ?
Se1 Cd5 Se1 95.71(3) . 6_454 ?
Se1 Cd5 Se1 116.757(17) 12_666 6_454 ?
Se1 Cd5 Se1 116.757(17) 15 6_454 ?
Se1 Tm5 Se2 88.91(2) . 7_444 ?
Se1 Tm5 Se5 95.24(2) . . ?
Se2 Tm5 Se5 94.97(2) 7_444 . ?
Se1 Tm5 Se7 90.851(19) . 7_444 ?
Se2 Tm5 Se7 87.978(19) 7_444 7_444 ?
Se5 Tm5 Se7 173.28(2) . 7_444 ?
Se1 Tm5 Se4 98.73(2) . . ?
Se2 Tm5 Se4 170.44(2) 7_444 . ?
Se5 Tm5 Se4 90.077(19) . . ?
Se7 Tm5 Se4 86.181(19) 7_444 . ?
Se1 Tm5 Se10 174.37(2) . . ?
Se2 Tm5 Se10 85.48(2) 7_444 . ?
Se5 Tm5 Se10 85.705(19) . . ?
Se7 Tm5 Se10 88.509(18) 7_444 . ?
Se4 Tm5 Se10 86.80(2) . . ?
Se1 Tm5 Tm8 44.713(14) . 15 ?
Se2 Tm5 Tm8 91.545(15) 7_444 15 ?
Se5 Tm5 Tm8 139.321(16) . 15 ?
Se7 Tm5 Tm8 46.381(13) 7_444 15 ?
Se4 Tm5 Tm8 89.898(15) . 15 ?
Se10 Tm5 Tm8 134.888(14) . 15 ?
Se1 Tm5 Cs1 54.663(16) . 12_666 ?
Se2 Tm5 Cs1 60.000(16) 7_444 12_666 ?
Se5 Tm5 Cs1 56.392(15) . 12_666 ?
Se7 Tm5 Cs1 130.062(16) 7_444 12_666 ?
Se4 Tm5 Cs1 129.320(17) . 12_666 ?
Se10 Tm5 Cs1 122.200(16) . 12_666 ?
Tm8 Tm5 Cs1 93.864(9) 15 12_666 ?
Se8 Tm6 Se2 94.00(2) . . ?
Se8 Tm6 Se12 94.79(2) . . ?
Se2 Tm6 Se12 93.49(2) . . ?
Se8 Tm6 Se5 90.090(18) . . ?
Se2 Tm6 Se5 87.83(2) . . ?
Se12 Tm6 Se5 174.84(2) . . ?
Se8 Tm6 Se10 176.92(2) . . ?
Se2 Tm6 Se10 86.69(2) . . ?
Se12 Tm6 Se10 88.160(18) . . ?
Se5 Tm6 Se10 86.932(18) . . ?
Se8 Tm6 Se3 92.72(2) . . ?
Se2 Tm6 Se3 173.18(2) . . ?
Se12 Tm6 Se3 87.072(19) . . ?
Se5 Tm6 Se3 91.023(19) . . ?
Se10 Tm6 Se3 86.53(2) . . ?
Se8 Tm6 Tm2 45.150(16) . 13 ?
Se2 Tm6 Tm2 139.139(17) . 13 ?
Se12 Tm6 Tm2 91.486(15) . 13 ?
Se5 Tm6 Tm2 90.767(15) . 13 ?
Se10 Tm6 Tm2 134.022(18) . 13 ?
Se3 Tm6 Tm2 47.573(14) . 13 ?
Se8 Tm6 Cs1 58.506(17) . 10_656 ?
Se2 Tm6 Cs1 59.478(16) . 10_656 ?
Se12 Tm6 Cs1 55.160(15) . 10_656 ?
Se5 Tm6 Cs1 129.416(16) . 10_656 ?
Se10 Tm6 Cs1 124.235(17) . 10_656 ?
Se3 Tm6 Cs1 125.646(16) . 10_656 ?
Tm2 Tm6 Cs1 91.597(10) 13 10_656 ?
Se8 Tm7 Se11 92.00(2) . 13 ?
Se8 Tm7 Se7 92.27(2) . 13 ?
Se11 Tm7 Se7 175.65(2) 13 13 ?
Se8 Tm7 Se9 92.03(2) . 13 ?
Se11 Tm7 Se9 89.14(2) 13 13 ?
Se7 Tm7 Se9 91.53(2) 13 13 ?
Se8 Tm7 Se5 90.03(2) . . ?
Se11 Tm7 Se5 91.60(2) 13 . ?
Se7 Tm7 Se5 87.574(19) 13 . ?
Se9 Tm7 Se5 177.78(2) 13 . ?
Se8 Tm7 Se4 177.64(2) . 12_666 ?
Se11 Tm7 Se4 89.90(2) 13 12_666 ?
Se7 Tm7 Se4 85.809(19) 13 12_666 ?
Se9 Tm7 Se4 89.39(2) 13 12_666 ?
Se5 Tm7 Se4 88.52(2) . 12_666 ?
Se8 Tm7 Tm2 45.176(16) . 13 ?
Se11 Tm7 Tm2 46.820(15) 13 13 ?
Se7 Tm7 Tm2 137.443(16) 13 13 ?
Se9 Tm7 Tm2 90.908(16) 13 13 ?
Se5 Tm7 Tm2 91.122(15) . 13 ?
Se4 Tm7 Tm2 136.703(16) 12_666 13 ?
Se8 Tm7 Cs1 125.218(17) . 12_666 ?
Se11 Tm7 Cs1 53.019(15) 13 12_666 ?
Se7 Tm7 Cs1 123.375(16) 13 12_666 ?
Se9 Tm7 Cs1 123.000(17) 13 12_666 ?
Se5 Tm7 Cs1 56.126(15) . 12_666 ?
Se4 Tm7 Cs1 55.185(15) 12_666 12_666 ?
Tm2 Tm7 Cs1 89.630(10) 13 12_666 ?
Se8 Tm7 Cs1 56.526(16) . 13 ?
Se11 Tm7 Cs1 124.914(17) 13 13 ?
Se7 Tm7 Cs1 58.529(15) 13 13 ?
Se9 Tm7 Cs1 53.386(16) 13 13 ?
Se5 Tm7 Cs1 127.493(16) . 13 ?
Se4 Tm7 Cs1 123.229(16) 12_666 13 ?
Tm2 Tm7 Cs1 90.235(10) 13 13 ?
Cs1 Tm7 Cs1 176.381(12) 12_666 13 ?
Se1 Tm8 Se4 92.53(2) 12_666 . ?
Se1 Tm8 Se7 88.64(2) 12_666 . ?
Se4 Tm8 Se7 94.84(2) . . ?
Se1 Tm8 Se7 89.677(19) 12_666 13 ?
Se4 Tm8 Se7 176.10(2) . 13 ?
Se7 Tm8 Se7 88.431(19) . 13 ?
Se1 Tm8 Se5 99.60(2) 12_666 . ?
Se4 Tm8 Se5 89.805(19) . . ?
Se7 Tm8 Se5 170.37(2) . . ?
Se7 Tm8 Se5 86.651(18) 13 . ?
Se1 Tm8 Se2 174.50(2) 12_666 . ?
Se4 Tm8 Se2 87.64(2) . . ?
Se7 Tm8 Se2 85.868(19) . . ?
Se7 Tm8 Se2 90.47(2) 13 . ?
Se5 Tm8 Se2 85.901(19) . . ?
Se1 Tm8 Tm5 44.238(14) 12_666 12_666 ?
Se4 Tm8 Tm5 136.134(16) . 12_666 ?
Se7 Tm8 Tm5 91.613(15) . 12_666 ?
Se7 Tm8 Tm5 45.676(13) 13 12_666 ?
Se5 Tm8 Tm5 90.865(14) . 12_666 ?
Se2 Tm8 Tm5 136.144(16) . 12_666 ?
Se1 Tm8 Cs1 53.969(16) 12_666 . ?
Se4 Tm8 Cs1 55.143(15) . . ?
Se7 Tm8 Cs1 59.576(15) . . ?
Se7 Tm8 Cs1 128.639(16) 13 . ?
Se5 Tm8 Cs1 129.578(16) . . ?
Se2 Tm8 Cs1 122.345(16) . . ?
Tm5 Tm8 Cs1 92.714(9) 12_666 . ?
Cd5 Se1 Tm5 115.65(3) . . ?
Cd5 Se1 Tm8 116.19(3) . 15 ?
Tm5 Se1 Tm8 91.05(2) . 15 ?
Cd5 Se1 Cs1 93.50(2) . 15 ?
Tm5 Se1 Cs1 146.14(3) . 15 ?
Tm8 Se1 Cs1 90.939(19) 15 15 ?
Cd5 Se1 Cs1 93.095(19) . 12_666 ?
Tm5 Se1 Cs1 90.421(19) . 12_666 ?
Tm8 Se1 Cs1 146.43(3) 15 12_666 ?
Cs1 Se1 Cs1 70.14(2) 15 12_666 ?
Cd1 Se2 Tm5 95.50(2) . 8_444 ?
Tm1 Se2 Tm5 95.50(2) . 8_444 ?
Cd1 Se2 Tm6 94.23(2) . . ?
Tm1 Se2 Tm6 94.23(2) . . ?
Tm5 Se2 Tm6 168.90(3) 8_444 . ?
Cd1 Se2 Tm8 90.94(2) . . ?
Tm1 Se2 Tm8 90.94(2) . . ?
Tm5 Se2 Tm8 92.20(2) 8_444 . ?
Tm6 Se2 Tm8 92.98(2) . . ?
Cd1 Se2 Cs1 131.81(2) . 10_656 ?
Tm1 Se2 Cs1 131.81(2) . 10_656 ?
Tm5 Se2 Cs1 84.404(18) 8_444 10_656 ?
Tm6 Se2 Cs1 85.128(19) . 10_656 ?
Tm8 Se2 Cs1 137.25(2) . 10_656 ?
Cd4 Se3 Tm6 92.66(2) 2_554 . ?
Tm4 Se3 Tm6 92.66(2) 2_554 . ?
Cd4 Se3 Cd3 89.81(2) 2_554 8_443 ?
Tm6 Se3 Cd3 176.54(3) . 8_443 ?
Tm4 Se3 Tm3 89.81(2) 2_554 8_443 ?
Tm6 Se3 Tm3 176.54(3) . 8_443 ?
Tm4 Se3 Tm2 92.22(2) 2_554 13 ?
Tm6 Se3 Tm2 85.69(2) . 13 ?
Tm3 Se3 Tm2 91.79(2) 8_443 13 ?
Cd4 Se3 Cd2 92.22(2) 2_554 13 ?
Tm6 Se3 Cd2 85.69(2) . 13 ?
Cd3 Se3 Cd2 91.79(2) 8_443 13 ?
Cd4 Se3 Cd1 90.69(2) 2_554 7_444 ?
Tm6 Se3 Cd1 92.88(2) . 7_444 ?
Cd3 Se3 Cd1 89.52(2) 8_443 7_444 ?
Cd2 Se3 Cd1 176.82(3) 13 7_444 ?
Tm4 Se3 Tm1 90.69(2) 2_554 7_444 ?
Tm6 Se3 Tm1 92.88(2) . 7_444 ?
Tm3 Se3 Tm1 89.52(2) 8_443 7_444 ?
Tm2 Se3 Tm1 176.82(3) 13 7_444 ?
Tm8 Se4 Cd1 91.22(2) . . ?
Tm8 Se4 Tm1 91.22(2) . . ?
Tm8 Se4 Tm5 89.812(19) . . ?
Cd1 Se4 Tm5 93.35(2) . . ?
Tm1 Se4 Tm5 93.35(2) . . ?
Tm8 Se4 Tm7 176.84(3) . 15 ?
Cd1 Se4 Tm7 89.18(2) . 15 ?
Tm1 Se4 Tm7 89.18(2) . 15 ?
Tm5 Se4 Tm7 93.29(2) . 15 ?
Tm8 Se4 Cs1 89.000(18) . . ?
Cd1 Se4 Cs1 130.97(2) . . ?
Tm1 Se4 Cs1 130.97(2) . . ?
Tm5 Se4 Cs1 135.67(2) . . ?
Tm7 Se4 Cs1 88.375(18) 15 . ?
Tm5 Se5 Tm7 175.47(3) . . ?
Tm5 Se5 Tm8 89.777(19) . . ?
Tm7 Se5 Tm8 92.750(19) . . ?
Tm5 Se5 Tm6 95.420(19) . . ?
Tm7 Se5 Tm6 88.196(18) . . ?
Tm8 Se5 Tm6 93.20(2) . . ?
Tm5 Se5 Cs1 87.701(17) . 12_666 ?
Tm7 Se5 Cs1 87.838(17) . 12_666 ?
Tm8 Se5 Cs1 133.92(2) . 12_666 ?
Tm6 Se5 Cs1 132.84(2) . 12_666 ?
Cd10 Se6 Cd4 125.19(6) . 9_556 ?
Cd10 Se6 Tm4 125.19(6) . 9_556 ?
Cd10 Se6 Tm3 121.50(6) . . ?
Tm4 Se6 Tm3 90.254(19) 9_556 . ?
Cd10 Se6 Cd3 121.50(6) . . ?
Cd4 Se6 Cd3 90.254(19) 9_556 . ?
Cd10 Se6 Cd2 125.06(11) . 15_556 ?
Cd4 Se6 Cd2 91.70(2) 9_556 15_556 ?
Cd3 Se6 Cd2 93.61(2) . 15_556 ?
Cd10 Se6 Tm2 125.06(11) . 15_556 ?
Tm4 Se6 Tm2 91.70(2) 9_556 15_556 ?
Tm3 Se6 Tm2 93.61(2) . 15_556 ?
Cd10 Se6 Cd2 51.72(5) . . ?
Cd4 Se6 Cd2 174.97(3) 9_556 . ?
Cd3 Se6 Cd2 88.81(2) . . ?
Cd2 Se6 Cd2 93.29(2) 15_556 . ?
Cd10 Se6 Tm2 51.72(5) . . ?
Tm4 Se6 Tm2 174.97(3) 9_556 . ?
Tm3 Se6 Tm2 88.81(2) . . ?
Tm2 Se6 Tm2 93.29(2) 15_556 . ?
Cd10 Se6 Cd2 51.53(5) . 6_454 ?
Cd4 Se6 Cd2 92.82(2) 9_556 6_454 ?
Cd3 Se6 Cd2 172.65(3) . 6_454 ?
Cd2 Se6 Cd2 92.97(2) 15_556 6_454 ?
Cd2 Se6 Cd2 87.54(2) . 6_454 ?
Cd10 Se6 Tm2 51.53(5) . 6_454 ?
Tm4 Se6 Tm2 92.82(2) 9_556 6_454 ?
Tm3 Se6 Tm2 172.65(3) . 6_454 ?
Tm2 Se6 Tm2 92.97(2) 15_556 6_454 ?
Tm2 Se6 Tm2 87.54(2) . 6_454 ?
Tm5 Se7 Tm8 93.84(2) 8_444 . ?
Tm5 Se7 Tm7 94.71(2) 8_444 13 ?
Tm8 Se7 Tm7 170.43(3) . 13 ?
Tm5 Se7 Tm8 87.943(18) 8_444 13 ?
Tm8 Se7 Tm8 91.568(19) . 13 ?
Tm7 Se7 Tm8 93.024(19) 13 13 ?
Tm5 Se7 Cs1 134.32(2) 8_444 . ?
Tm8 Se7 Cs1 84.727(18) . . ?
Tm7 Se7 Cs1 86.225(17) 13 . ?
Tm8 Se7 Cs1 137.70(2) 13 . ?
Cd10 Se8 Tm6 123.01(6) 13 . ?
Cd10 Se8 Tm7 125.05(6) 13 . ?
Tm6 Se8 Tm7 91.67(2) . . ?
Cd10 Se8 Cd2 53.08(11) 13 13 ?
Tm6 Se8 Cd2 90.55(2) . 13 ?
Tm7 Se8 Cd2 89.98(2) . 13 ?
Cd10 Se8 Tm2 53.08(11) 13 13 ?
Tm6 Se8 Tm2 90.55(2) . 13 ?
Tm7 Se8 Tm2 89.98(2) . 13 ?
Cd10 Se8 Cs1 89.69(9) 13 13 ?
Tm6 Se8 Cs1 137.85(3) . 13 ?
Tm7 Se8 Cs1 88.87(2) . 13 ?
Cd2 Se8 Cs1 131.60(2) 13 13 ?
Tm2 Se8 Cs1 131.60(2) 13 13 ?
Cd10 Se8 Cs1 88.52(9) 13 10_656 ?
Tm6 Se8 Cs1 86.89(2) . 10_656 ?
Tm7 Se8 Cs1 139.05(3) . 10_656 ?
Cd2 Se8 Cs1 130.93(2) 13 10_656 ?
Tm2 Se8 Cs1 130.93(2) 13 10_656 ?
Cs1 Se8 Cs1 66.395(19) 13 10_656 ?
Cd1 Se9 Tm7 90.94(2) 8_444 13 ?
Tm1 Se9 Tm7 90.94(2) 8_444 13 ?
Cd1 Se9 Cd3 90.99(2) 8_444 . ?
Tm7 Se9 Cd3 90.06(2) 13 . ?
Tm1 Se9 Tm3 90.99(2) 8_444 . ?
Tm7 Se9 Tm3 90.06(2) 13 . ?
Tm1 Se9 Tm4 93.12(2) 8_444 . ?
Tm7 Se9 Tm4 175.88(3) 13 . ?
Tm3 Se9 Tm4 90.58(2) . . ?
Cd1 Se9 Cd4 93.12(2) 8_444 . ?
Tm7 Se9 Cd4 175.88(3) 13 . ?
Cd3 Se9 Cd4 90.58(2) . . ?
Cd1 Se9 Cs1 134.75(3) 8_444 . ?
Tm1 Se9 Cs1 134.75(3) 8_444 . ?
Tm7 Se9 Cs1 91.254(19) 13 . ?
Cd3 Se9 Cs1 134.19(2) . . ?
Tm3 Se9 Cs1 134.19(2) . . ?
Tm4 Se9 Cs1 85.386(18) . . ?
Cd4 Se9 Cs1 85.386(18) . . ?
Tm1 Se10 Tm1 174.23(3) 7_444 . ?
Cd1 Se10 Cd1 174.23(3) 7_444 . ?
Cd1 Se10 Tm6 94.46(2) 7_444 . ?
Tm1 Se10 Tm6 94.46(2) 7_444 . ?
Tm1 Se10 Tm6 91.19(2) . . ?
Cd1 Se10 Tm6 91.19(2) . . ?
Cd1 Se10 Cd3 88.49(2) 7_444 2_554 ?
Cd1 Se10 Cd3 90.27(2) . 2_554 ?
Tm6 Se10 Cd3 90.717(18) . 2_554 ?
Tm1 Se10 Tm3 88.49(2) 7_444 2_554 ?
Tm1 Se10 Tm3 90.27(2) . 2_554 ?
Tm6 Se10 Tm3 90.717(18) . 2_554 ?
Cd1 Se10 Tm5 90.34(2) 7_444 . ?
Tm1 Se10 Tm5 90.34(2) 7_444 . ?
Tm1 Se10 Tm5 90.64(2) . . ?
Cd1 Se10 Tm5 90.64(2) . . ?
Tm6 Se10 Tm5 91.928(18) . . ?
Cd3 Se10 Tm5 177.19(3) 2_554 . ?
Tm3 Se10 Tm5 177.19(3) 2_554 . ?
Cd3 Se11 Cd4 92.08(2) . 8_444 ?
Tm3 Se11 Tm4 92.08(2) . 8_444 ?
Cd3 Se11 Tm7 91.19(2) . 13 ?
Tm3 Se11 Tm7 91.19(2) . 13 ?
Cd4 Se11 Tm7 176.65(3) 8_444 13 ?
Tm4 Se11 Tm7 176.65(3) 8_444 13 ?
Cd3 Se11 Cd2 89.86(2) . . ?
Cd4 Se11 Cd2 91.90(2) 8_444 . ?
Tm7 Se11 Cd2 87.35(2) 13 . ?
Tm3 Se11 Tm2 89.86(2) . . ?
Tm4 Se11 Tm2 91.90(2) 8_444 . ?
Tm7 Se11 Tm2 87.35(2) 13 . ?
Cd3 Se11 Cs1 136.07(2) . 8_444 ?
Tm3 Se11 Cs1 136.07(2) . 8_444 ?
Cd4 Se11 Cs1 87.09(2) 8_444 8_444 ?
Tm4 Se11 Cs1 87.09(2) 8_444 8_444 ?
Tm7 Se11 Cs1 91.084(19) 13 8_444 ?
Cd2 Se11 Cs1 134.07(2) . 8_444 ?
Tm2 Se11 Cs1 134.07(2) . 8_444 ?
Cd4 Se12 Cd3 91.63(2) 10_656 2_554 ?
Tm4 Se12 Tm3 91.63(2) 10_656 2_554 ?
Cd4 Se12 Tm6 173.73(3) 10_656 . ?
Tm4 Se12 Tm6 173.73(3) 10_656 . ?
Cd3 Se12 Tm6 93.26(2) 2_554 . ?
Tm3 Se12 Tm6 93.26(2) 2_554 . ?
Tm4 Se12 Tm4 91.15(2) 10_656 2_554 ?
Tm3 Se12 Tm4 90.72(2) 2_554 2_554 ?
Tm6 Se12 Tm4 92.72(2) . 2_554 ?
Cd4 Se12 Cd4 91.15(2) 10_656 2_554 ?
Cd3 Se12 Cd4 90.72(2) 2_554 2_554 ?
Tm6 Se12 Cd4 92.72(2) . 2_554 ?
Cd4 Se12 Cs1 84.977(18) 10_656 10_656 ?
Tm4 Se12 Cs1 84.977(18) 10_656 10_656 ?
Cd3 Se12 Cs1 133.47(2) 2_554 10_656 ?
Tm3 Se12 Cs1 133.47(2) 2_554 10_656 ?
Tm6 Se12 Cs1 88.812(18) . 10_656 ?
Tm4 Se12 Cs1 135.65(2) 2_554 10_656 ?
Cd4 Se12 Cs1 135.65(2) 2_554 10_656 ?
Cd2 Cd10 Cd2 112.8(2) . 6_454 ?
Tm2 Cd10 Tm2 112.8(2) . 6_454 ?
Cd2 Cd10 Se8 178.0(2) . 10_556 ?
Tm2 Cd10 Se8 178.0(2) . 10_556 ?
Cd2 Cd10 Se8 69.22(2) 6_454 10_556 ?
Tm2 Cd10 Se8 69.22(2) 6_454 10_556 ?
Cd2 Cd10 Se8 69.22(2) . 13 ?
Tm2 Cd10 Se8 69.22(2) . 13 ?
Cd2 Cd10 Se8 178.0(2) 6_454 13 ?
Tm2 Cd10 Se8 178.0(2) 6_454 13 ?
Se8 Cd10 Se8 108.8(2) 10_556 13 ?
Cd2 Cd10 Se6 70.96(11) . 6_454 ?
Tm2 Cd10 Se6 70.96(11) . 6_454 ?
Cd2 Cd10 Se6 70.53(11) 6_454 6_454 ?
Tm2 Cd10 Se6 70.53(11) 6_454 6_454 ?
Se8 Cd10 Se6 110.11(2) 10_556 6_454 ?
Se8 Cd10 Se6 110.52(2) 13 6_454 ?
Cd2 Cd10 Se6 70.53(11) . . ?
Tm2 Cd10 Se6 70.53(11) . . ?
Cd2 Cd10 Se6 70.96(11) 6_454 . ?
Tm2 Cd10 Se6 70.96(11) 6_454 . ?
Se8 Cd10 Se6 110.52(2) 10_556 . ?
Se8 Cd10 Se6 110.11(2) 13 . ?
Se6 Cd10 Se6 106.8(2) 6_454 . ?

_refine_diff_density_max         3.182
_refine_diff_density_min         -3.679
_refine_diff_density_rms         0.336


