# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
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# Audit and citation data items may have been added by the CCDC. 
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data_kap1116a_1
_database_code_depnum_ccdc_archive 'CCDC 1993971'
loop_
_audit_author_name
_audit_author_address
'Kristen Pace'
;University of South Carolina 
United States of America
;
_audit_update_record             
;
2020-03-31 deposited with the CCDC.	2020-07-10 downloaded from the CCDC.
;
_audit_creation_date             2019-10-11
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.25(Cs8 O60 Pu4 Si24)'
_chemical_formula_sum            'Cs2 O15 Pu Si6'
_chemical_formula_weight         916.36
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pu Pu -9.4100 4.3056 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           36
_space_group_name_H-M_alt        'C m c 21'
_space_group_name_Hall           'C 2c -2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x, -y, z+1/2'
'-x, y, z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z'

_cell_length_a                   7.2502(2)
_cell_length_b                   16.1726(4)
_cell_length_c                   13.4121(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1572.63(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9928
_cell_measurement_temperature    303(2)
_cell_measurement_theta_max      28.32
_cell_measurement_theta_min      2.52
_shelx_estimated_absorpt_T_max   0.913
_shelx_estimated_absorpt_T_min   0.654
_exptl_absorpt_coefficient_mu    9.286
_exptl_absorpt_correction_T_max  0.2627
_exptl_absorpt_correction_T_min  0.2161
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1453 before and 0.0513 after correction.
The Ratio of minimum to maximum transmission is 0.8226.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            blue
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    3.870
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       hexagonal
_exptl_crystal_F_000             1632
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_av_unetI/netI     0.0102
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            52598
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.296
_diffrn_reflns_theta_min         2.519
_diffrn_ambient_temperature      303.28
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.920
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                2090
_reflns_number_total             2103
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.528
_refine_diff_density_min         -1.833
_refine_diff_density_rms         0.254
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.48(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.160
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     137
_refine_ls_number_reflns         2103
_refine_ls_number_restraints     13
_refine_ls_R_factor_all          0.0289
_refine_ls_R_factor_gt           0.0287
_refine_ls_restrained_S_all      1.166
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+61.9534P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0650
_refine_ls_wR_factor_ref         0.0651
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.52(4) 0.48(4)
2. Uiso/Uaniso restraints and constraints
Uanis(O7) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.02
Uanis(O6) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
3. Others
 Fixed Sof: Cs1(0.375) Cs3(0.25) Cs4(0.25) Cs2(0.125)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Pu1 Pu 0.5000 0.36841(3) 0.67265(4) 0.01545(13) Uani 1 2 d S T P . .
Cs1 Cs 0.0000 0.3866(3) 0.5187(6) 0.0259(8) Uani 0.75 2 d S T P . .
Cs3 Cs 0.5000 0.7703(7) 0.8272(9) 0.0386(18) Uani 0.5 2 d S T P . .
Si2 Si 0.5000 0.4535(3) 0.4198(4) 0.0153(10) Uani 1 2 d S T P . .
Si3 Si 0.5000 0.6442(3) 0.4401(3) 0.0124(8) Uani 1 2 d S T P . .
Si1 Si 0.2177(6) 0.4577(2) 0.2477(3) 0.0218(7) Uani 1 1 d . . . . .
Si4 Si 0.7953(5) 0.6849(2) 0.5959(3) 0.0213(8) Uani 1 1 d . . . . .
O7 O 0.5000 0.6710(10) 0.3277(11) 0.033(3) Uani 1 2 d S TU P . .
O9 O 1.0000 0.6610(9) 0.5595(11) 0.027(3) Uani 1 2 d S T P . .
O10 O 0.7828(15) 0.7742(6) 0.6425(7) 0.029(2) Uani 1 1 d . . . . .
O5 O 0.5000 0.3982(10) 0.5119(12) 0.042(4) Uani 1 2 d S T P . .
O2 O 0.2757(13) 0.3839(5) 0.1726(14) 0.038(2) Uani 1 1 d . . . . .
O4 O 0.3146(18) 0.4395(8) 0.3535(8) 0.044(3) Uani 1 1 d . . . . .
O1 O 0.0000 0.4509(8) 0.2719(10) 0.024(3) Uani 1 2 d S T P . .
O8 O 0.670(2) 0.6833(9) 0.4966(11) 0.065(5) Uani 1 1 d . . . . .
O6 O 0.5000 0.5457(10) 0.4579(13) 0.041(4) Uani 1 2 d S TU P . .
O3 O 0.2765(19) 0.5451(6) 0.2043(8) 0.040(3) Uani 1 1 d . . . . .
Cs4 Cs 0.5000 0.7891(7) 0.8149(10) 0.0384(19) Uani 0.5 2 d S T P . .
Cs2 Cs 0.0000 0.4088(7) 0.5169(19) 0.028(3) Uani 0.25 2 d S T P . .


_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
Pu1 Cs1 4.183(4) 1_655 ?
Pu1 Cs1 4.183(4) . ?
Pu1 O7 2.175(15) 2_665 ?
Pu1 O10 2.228(10) 8_645 ?
Pu1 O10 2.228(10) 5_445 ?
Pu1 O5 2.209(16) . ?
Pu1 O3 2.183(11) 2_665 ?
Pu1 O3 2.183(11) 3_565 ?
Pu1 Cs4 4.292(5) 5_545 ?
Pu1 Cs4 4.292(5) 5_445 ?
Pu1 Cs2 4.235(12) . ?
Pu1 Cs2 4.235(12) 1_655 ?
Cs1 Si2 4.009(4) . ?
Cs1 O10 3.204(11) 8_545 ?
Cs1 O10 3.204(11) 5_445 ?
Cs1 O5 3.6311(10) 1_455 ?
Cs1 O5 3.6311(10) . ?
Cs1 O4 3.293(13) . ?
Cs1 O4 3.293(13) 4 ?
Cs1 O1 3.469(15) . ?
Cs1 O8 3.523(16) 8_545 ?
Cs1 O8 3.523(16) 5_445 ?
Cs1 O3 3.382(14) 3_565 ?
Cs1 O3 3.382(14) 2_565 ?
Cs3 O7 3.747(5) 6_665 ?
Cs3 O7 3.747(5) 6_565 ?
Cs3 O9 3.31(2) 6_665 ?
Cs3 O10 3.216(14) 4_655 ?
Cs3 O10 3.216(14) . ?
Cs3 O5 3.684(19) 2_665 ?
Cs3 O2 3.628(19) 3_565 ?
Cs3 O2 3.628(19) 2_665 ?
Cs3 O4 3.667(17) 2_665 ?
Cs3 O4 3.667(17) 3_565 ?
Cs3 O8 3.385(19) 7_465 ?
Cs3 O8 3.385(19) 6_665 ?
Si2 Cs1 4.009(4) 1_655 ?
Si2 Cs3 3.828(11) 2_664 ?
Si2 O5 1.525(16) . ?
Si2 O4 1.628(12) . ?
Si2 O4 1.628(12) 4_655 ?
Si2 O6 1.576(15) . ?
Si2 Cs4 4.169(11) 2_664 ?
Si2 Cs2 3.919(8) . ?
Si2 Cs2 3.919(8) 1_655 ?
Si3 Cs1 4.060(7) 5 ?
Si3 Cs3 4.165(7) 6_664 ?
Si3 Cs3 4.165(7) 6_564 ?
Si3 O7 1.568(15) . ?
Si3 O8 1.578(12) . ?
Si3 O8 1.578(12) 4_655 ?
Si3 O6 1.610(16) . ?
Si3 Cs4 4.138(7) 6_564 ?
Si3 Cs4 4.138(7) 6_664 ?
Si1 Cs1 4.274(8) 2_564 ?
Si1 O2 1.617(14) . ?
Si1 O4 1.610(11) . ?
Si1 O1 1.615(5) . ?
Si1 O3 1.587(10) . ?
Si1 Cs2 4.02(2) . ?
Si1 Cs2 4.09(2) 2_564 ?
Si4 Cs1 4.037(5) 5 ?
Si4 Cs3 3.965(13) 6_664 ?
Si4 O9 1.610(6) . ?
Si4 O10 1.576(10) . ?
Si4 O2 1.600(14) 2_665 ?
Si4 O8 1.614(12) . ?
Si4 Cs4 4.006(13) . ?
Si4 Cs4 4.073(13) 6_664 ?
O7 Pu1 2.175(15) 2_664 ?
O7 Cs3 3.747(5) 6_564 ?
O7 Cs3 3.747(5) 6_664 ?
O7 Cs4 3.686(4) 6_664 ?
O7 Cs4 3.686(4) 6_564 ?
O9 Cs3 3.31(2) 6_664 ?
O9 Si4 1.610(6) 4_755 ?
O9 Cs4 3.38(2) 6_664 ?
O10 Pu1 2.228(10) 5 ?
O10 Cs1 3.204(11) 5 ?
O10 Cs4 3.099(14) . ?
O10 Cs2 3.432(16) 5 ?
O5 Cs1 3.6311(10) 1_655 ?
O5 Cs3 3.684(19) 2_664 ?
O5 Cs2 3.6298(12) . ?
O5 Cs2 3.6298(12) 1_655 ?
O2 Cs3 3.628(19) 2_664 ?
O2 Si4 1.600(14) 2_664 ?
O2 Cs4 3.757(18) 2_664 ?
O4 Cs3 3.667(17) 2_664 ?
O4 Cs2 3.20(2) . ?
O1 Si1 1.615(5) 4 ?
O1 Cs2 3.36(3) . ?
O8 Cs1 3.523(16) 5 ?
O8 Cs3 3.385(19) 6_664 ?
O8 Cs4 3.45(2) 6_664 ?
O3 Pu1 2.183(11) 2_664 ?
O3 Cs1 3.382(14) 2_564 ?
O3 Cs4 3.662(15) 6_564 ?
O3 Cs2 3.30(2) 2_564 ?
Cs4 O7 3.686(4) 6_565 ?
Cs4 O7 3.686(4) 6_665 ?
Cs4 O9 3.38(2) 6_665 ?
Cs4 O10 3.099(14) 4_655 ?
Cs4 O2 3.757(18) 2_665 ?
Cs4 O2 3.757(18) 3_565 ?
Cs4 O8 3.45(2) 7_465 ?
Cs4 O8 3.45(2) 6_665 ?
Cs4 O3 3.662(15) 6_565 ?
Cs4 O3 3.662(15) 7_565 ?
Cs2 Si2 3.919(8) 1_455 ?
Cs2 O10 3.432(16) 5_445 ?
Cs2 O10 3.432(16) 8_545 ?
Cs2 O5 3.6298(12) 1_455 ?
Cs2 O4 3.20(2) 4 ?
Cs2 O3 3.30(2) 3_565 ?
Cs2 O3 3.30(2) 2_565 ?

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
Cs1 Pu1 Cs1 120.2(2) 1_655 . ?
Cs1 Pu1 Cs4 166.52(19) 1_655 5_445 ?
Cs1 Pu1 Cs4 166.52(19) . 5_545 ?
Cs1 Pu1 Cs4 60.56(16) 1_655 5_545 ?
Cs1 Pu1 Cs4 60.56(16) . 5_445 ?
Cs1 Pu1 Cs2 119.17(18) . 1_655 ?
Cs1 Pu1 Cs2 4.85(19) 1_655 1_655 ?
Cs1 Pu1 Cs2 119.17(18) 1_655 . ?
Cs1 Pu1 Cs2 4.85(19) . . ?
O7 Pu1 Cs1 119.52(10) 2_665 1_655 ?
O7 Pu1 Cs1 119.52(10) 2_665 . ?
O7 Pu1 O10 88.5(4) 2_665 8_645 ?
O7 Pu1 O10 88.5(4) 2_665 5_445 ?
O7 Pu1 O5 175.6(7) 2_665 . ?
O7 Pu1 O3 90.1(4) 2_665 3_565 ?
O7 Pu1 O3 90.1(4) 2_665 2_665 ?
O7 Pu1 Cs4 59.18(16) 2_665 5_545 ?
O7 Pu1 Cs4 59.18(16) 2_665 5_445 ?
O7 Pu1 Cs2 121.1(3) 2_665 1_655 ?
O7 Pu1 Cs2 121.1(3) 2_665 . ?
O10 Pu1 Cs1 49.1(3) 5_445 . ?
O10 Pu1 Cs1 124.8(3) 8_645 . ?
O10 Pu1 Cs1 124.8(3) 5_445 1_655 ?
O10 Pu1 Cs1 49.1(3) 8_645 1_655 ?
O10 Pu1 O10 90.0(5) 5_445 8_645 ?
O10 Pu1 Cs4 118.3(3) 8_645 5_445 ?
O10 Pu1 Cs4 43.9(3) 5_445 5_445 ?
O10 Pu1 Cs4 43.9(3) 8_645 5_545 ?
O10 Pu1 Cs4 118.3(3) 5_445 5_545 ?
O10 Pu1 Cs2 53.9(3) 5_445 . ?
O10 Pu1 Cs2 53.9(3) 8_645 1_655 ?
O10 Pu1 Cs2 128.4(4) 8_645 . ?
O10 Pu1 Cs2 128.4(4) 5_445 1_655 ?
O5 Pu1 Cs1 60.18(10) . 1_655 ?
O5 Pu1 Cs1 60.18(10) . . ?
O5 Pu1 O10 88.4(4) . 8_645 ?
O5 Pu1 O10 88.4(4) . 5_445 ?
O5 Pu1 Cs4 119.92(18) . 5_445 ?
O5 Pu1 Cs4 119.92(18) . 5_545 ?
O5 Pu1 Cs2 59.0(3) . 1_655 ?
O5 Pu1 Cs2 59.0(3) . . ?
O3 Pu1 Cs1 134.0(3) 3_565 1_655 ?
O3 Pu1 Cs1 53.7(3) 2_665 1_655 ?
O3 Pu1 Cs1 53.7(3) 3_565 . ?
O3 Pu1 Cs1 134.0(3) 2_665 . ?
O3 Pu1 O10 87.1(4) 2_665 8_645 ?
O3 Pu1 O10 87.1(4) 3_565 5_445 ?
O3 Pu1 O10 176.7(5) 3_565 8_645 ?
O3 Pu1 O10 176.7(5) 2_665 5_445 ?
O3 Pu1 O5 92.9(4) 2_665 . ?
O3 Pu1 O5 92.9(4) 3_565 . ?
O3 Pu1 O3 95.9(7) 2_665 3_565 ?
O3 Pu1 Cs4 137.1(4) 2_665 5_445 ?
O3 Pu1 Cs4 58.5(4) 2_665 5_545 ?
O3 Pu1 Cs4 137.1(4) 3_565 5_545 ?
O3 Pu1 Cs4 58.5(4) 3_565 5_445 ?
O3 Pu1 Cs2 50.3(4) 2_665 1_655 ?
O3 Pu1 Cs2 50.3(4) 3_565 . ?
O3 Pu1 Cs2 129.2(4) 3_565 1_655 ?
O3 Pu1 Cs2 129.2(4) 2_665 . ?
Cs4 Pu1 Cs4 115.2(2) 5_545 5_445 ?
Cs2 Pu1 Cs4 62.8(3) 1_655 5_545 ?
Cs2 Pu1 Cs4 171.2(2) 1_655 5_445 ?
Cs2 Pu1 Cs4 62.8(3) . 5_445 ?
Cs2 Pu1 Cs4 171.2(2) . 5_545 ?
Cs2 Pu1 Cs2 117.7(5) . 1_655 ?
O10 Cs1 Si2 75.28(19) 5_445 . ?
O10 Cs1 Si2 154.6(2) 8_545 . ?
O10 Cs1 O10 79.6(4) 8_545 5_445 ?
O10 Cs1 O5 132.9(3) 8_545 . ?
O10 Cs1 O5 53.4(3) 5_445 . ?
O10 Cs1 O5 53.4(3) 8_545 1_455 ?
O10 Cs1 O5 132.9(3) 5_445 1_455 ?
O10 Cs1 O4 160.0(4) 8_545 . ?
O10 Cs1 O4 93.0(3) 8_545 4 ?
O10 Cs1 O4 160.0(4) 5_445 4 ?
O10 Cs1 O4 93.0(3) 5_445 . ?
O10 Cs1 O1 131.6(3) 5_445 . ?
O10 Cs1 O1 131.6(3) 8_545 . ?
O10 Cs1 O8 74.8(3) 8_545 5_445 ?
O10 Cs1 O8 44.8(3) 8_545 8_545 ?
O10 Cs1 O8 74.8(3) 5_445 8_545 ?
O10 Cs1 O8 44.8(3) 5_445 5_445 ?
O10 Cs1 O3 54.9(3) 5_445 3_565 ?
O10 Cs1 O3 100.5(4) 8_545 3_565 ?
O10 Cs1 O3 54.9(3) 8_545 2_565 ?
O10 Cs1 O3 100.5(4) 5_445 2_565 ?
O5 Cs1 Si2 22.3(3) . . ?
O5 Cs1 Si2 151.7(3) 1_455 . ?
O5 Cs1 O5 173.4(5) . 1_455 ?
O4 Cs1 Si2 109.5(3) 4 . ?
O4 Cs1 Si2 23.2(2) . . ?
O4 Cs1 O5 43.8(3) 4 1_455 ?
O4 Cs1 O5 131.4(4) 4 . ?
O4 Cs1 O5 131.4(4) . 1_455 ?
O4 Cs1 O5 43.8(3) . . ?
O4 Cs1 O4 87.7(5) . 4 ?
O4 Cs1 O1 44.0(2) . . ?
O4 Cs1 O1 44.0(2) 4 . ?
O4 Cs1 O8 86.8(4) 4 8_545 ?
O4 Cs1 O8 86.8(4) . 5_445 ?
O4 Cs1 O8 115.3(4) . 8_545 ?
O4 Cs1 O8 115.3(4) 4 5_445 ?
O4 Cs1 O3 90.0(3) 4 2_565 ?
O4 Cs1 O3 145.2(3) 4 3_565 ?
O4 Cs1 O3 90.0(3) . 3_565 ?
O4 Cs1 O3 145.2(3) . 2_565 ?
O1 Cs1 Si2 66.65(13) . . ?
O1 Cs1 O5 87.8(3) . . ?
O1 Cs1 O5 87.8(3) . 1_455 ?
O1 Cs1 O8 101.5(4) . 5_445 ?
O1 Cs1 O8 101.5(4) . 8_545 ?
O8 Cs1 Si2 122.7(3) 8_545 . ?
O8 Cs1 Si2 84.7(3) 5_445 . ?
O8 Cs1 O5 113.3(4) 8_545 . ?
O8 Cs1 O5 72.4(3) 5_445 . ?
O8 Cs1 O5 72.4(3) 8_545 1_455 ?
O8 Cs1 O5 113.3(4) 5_445 1_455 ?
O8 Cs1 O8 40.9(5) 8_545 5_445 ?
O3 Cs1 Si2 67.6(2) 3_565 . ?
O3 Cs1 Si2 133.7(3) 2_565 . ?
O3 Cs1 O5 126.4(4) 2_565 . ?
O3 Cs1 O5 53.8(3) 3_565 . ?
O3 Cs1 O5 126.4(4) 3_565 1_455 ?
O3 Cs1 O5 53.8(3) 2_565 1_455 ?
O3 Cs1 O1 127.2(3) 3_565 . ?
O3 Cs1 O1 127.2(3) 2_565 . ?
O3 Cs1 O8 125.0(4) 2_565 5_445 ?
O3 Cs1 O8 99.2(3) 3_565 5_445 ?
O3 Cs1 O8 99.2(3) 2_565 8_545 ?
O3 Cs1 O8 125.0(4) 3_565 8_545 ?
O3 Cs1 O3 72.7(4) 3_565 2_565 ?
O7 Cs3 O7 150.6(6) 6_665 6_565 ?
O9 Cs3 O7 85.0(3) 6_665 6_665 ?
O9 Cs3 O7 85.0(3) 6_665 6_565 ?
O9 Cs3 O5 67.4(4) 6_665 2_665 ?
O9 Cs3 O2 140.3(4) 6_665 3_565 ?
O9 Cs3 O2 140.3(4) 6_665 2_665 ?
O9 Cs3 O4 102.7(4) 6_665 2_665 ?
O9 Cs3 O4 102.7(4) 6_665 3_565 ?
O9 Cs3 O8 45.0(3) 6_665 7_465 ?
O9 Cs3 O8 45.0(3) 6_665 6_665 ?
O10 Cs3 O7 127.8(4) . 6_565 ?
O10 Cs3 O7 51.7(3) . 6_665 ?
O10 Cs3 O7 51.7(3) 4_655 6_565 ?
O10 Cs3 O7 127.8(4) 4_655 6_665 ?
O10 Cs3 O9 136.0(3) . 6_665 ?
O10 Cs3 O9 136.0(3) 4_655 6_665 ?
O10 Cs3 O10 79.2(5) 4_655 . ?
O10 Cs3 O5 122.2(3) 4_655 2_665 ?
O10 Cs3 O5 122.2(3) . 2_665 ?
O10 Cs3 O2 81.9(4) . 3_565 ?
O10 Cs3 O2 44.6(3) . 2_665 ?
O10 Cs3 O2 44.6(3) 4_655 3_565 ?
O10 Cs3 O2 81.9(4) 4_655 2_665 ?
O10 Cs3 O4 109.0(4) . 3_565 ?
O10 Cs3 O4 109.0(4) 4_655 2_665 ?
O10 Cs3 O4 81.9(3) 4_655 3_565 ?
O10 Cs3 O4 81.9(3) . 2_665 ?
O10 Cs3 O8 164.5(4) 4_655 6_665 ?
O10 Cs3 O8 164.5(4) . 7_465 ?
O10 Cs3 O8 93.5(3) . 6_665 ?
O10 Cs3 O8 93.5(3) 4_655 7_465 ?
O5 Cs3 O7 100.7(3) 2_665 6_665 ?
O5 Cs3 O7 100.7(3) 2_665 6_565 ?
O2 Cs3 O7 127.5(4) 2_665 6_565 ?
O2 Cs3 O7 75.0(3) 2_665 6_665 ?
O2 Cs3 O7 75.0(3) 3_565 6_565 ?
O2 Cs3 O7 127.5(4) 3_565 6_665 ?
O2 Cs3 O5 82.8(4) 2_665 2_665 ?
O2 Cs3 O5 82.8(4) 3_565 2_665 ?
O2 Cs3 O2 53.3(4) 3_565 2_665 ?
O2 Cs3 O4 65.4(3) 3_565 2_665 ?
O2 Cs3 O4 41.8(3) 3_565 3_565 ?
O2 Cs3 O4 41.8(3) 2_665 2_665 ?
O2 Cs3 O4 65.4(3) 2_665 3_565 ?
O4 Cs3 O7 83.1(3) 2_665 6_665 ?
O4 Cs3 O7 83.1(3) 3_565 6_565 ?
O4 Cs3 O7 126.1(4) 2_665 6_565 ?
O4 Cs3 O7 126.1(4) 3_565 6_665 ?
O4 Cs3 O5 41.5(3) 2_665 2_665 ?
O4 Cs3 O5 41.5(3) 3_565 2_665 ?
O4 Cs3 O4 43.0(4) 3_565 2_665 ?
O8 Cs3 O7 42.1(3) 6_665 6_665 ?
O8 Cs3 O7 42.1(3) 7_465 6_565 ?
O8 Cs3 O7 128.8(5) 6_665 6_565 ?
O8 Cs3 O7 128.8(5) 7_465 6_665 ?
O8 Cs3 O5 73.3(3) 6_665 2_665 ?
O8 Cs3 O5 73.3(3) 7_465 2_665 ?
O8 Cs3 O2 148.5(4) 6_665 3_565 ?
O8 Cs3 O2 148.5(4) 7_465 2_665 ?
O8 Cs3 O2 102.6(3) 6_665 2_665 ?
O8 Cs3 O2 102.6(3) 7_465 3_565 ?
O8 Cs3 O4 83.2(4) 6_665 2_665 ?
O8 Cs3 O4 83.2(4) 7_465 3_565 ?
O8 Cs3 O4 113.6(4) 7_465 2_665 ?
O8 Cs3 O4 113.6(4) 6_665 3_565 ?
O8 Cs3 O8 90.0(5) 6_665 7_465 ?
Cs1 Si2 Cs1 129.5(2) 1_655 . ?
Cs1 Si2 Cs4 81.81(14) . 2_664 ?
Cs1 Si2 Cs4 81.81(14) 1_655 2_664 ?
Cs3 Si2 Cs1 81.49(14) 2_664 . ?
Cs3 Si2 Cs1 81.49(14) 2_664 1_655 ?
Cs3 Si2 Cs4 0.8(4) 2_664 2_664 ?
Cs3 Si2 Cs2 86.2(2) 2_664 1_655 ?
Cs3 Si2 Cs2 86.2(2) 2_664 . ?
O5 Si2 Cs1 64.77(11) . 1_655 ?
O5 Si2 Cs1 64.77(11) . . ?
O5 Si2 Cs3 73.0(7) . 2_664 ?
O5 Si2 O4 111.2(5) . 4_655 ?
O5 Si2 O4 111.2(5) . . ?
O5 Si2 O6 107.0(9) . . ?
O5 Si2 Cs4 73.8(7) . 2_664 ?
O5 Si2 Cs2 67.8(3) . . ?
O5 Si2 Cs2 67.8(3) . 1_655 ?
O4 Si2 Cs1 52.9(4) . . ?
O4 Si2 Cs1 152.9(6) . 1_655 ?
O4 Si2 Cs1 152.9(6) 4_655 . ?
O4 Si2 Cs1 52.9(4) 4_655 1_655 ?
O4 Si2 Cs3 72.0(5) . 2_664 ?
O4 Si2 Cs3 72.0(5) 4_655 2_664 ?
O4 Si2 O4 111.3(10) . 4_655 ?
O4 Si2 Cs4 71.6(5) . 2_664 ?
O4 Si2 Cs4 71.6(5) 4_655 2_664 ?
O4 Si2 Cs2 156.9(6) . 1_655 ?
O4 Si2 Cs2 156.9(6) 4_655 . ?
O4 Si2 Cs2 52.6(6) . . ?
O4 Si2 Cs2 52.6(6) 4_655 1_655 ?
O6 Si2 Cs1 98.5(3) . . ?
O6 Si2 Cs1 98.5(3) . 1_655 ?
O6 Si2 Cs3 180.0(7) . 2_664 ?
O6 Si2 O4 108.0(6) . 4_655 ?
O6 Si2 O4 108.0(6) . . ?
O6 Si2 Cs4 179.2(7) . 2_664 ?
O6 Si2 Cs2 93.8(3) . . ?
O6 Si2 Cs2 93.8(3) . 1_655 ?
Cs2 Si2 Cs1 132.6(2) 1_655 . ?
Cs2 Si2 Cs1 5.0(2) 1_655 1_655 ?
Cs2 Si2 Cs1 132.6(2) . 1_655 ?
Cs2 Si2 Cs1 5.0(2) . . ?
Cs2 Si2 Cs4 86.5(3) . 2_664 ?
Cs2 Si2 Cs4 86.5(3) 1_655 2_664 ?
Cs2 Si2 Cs2 135.3(6) 1_655 . ?
Cs1 Si3 Cs3 76.92(15) 5 6_564 ?
Cs1 Si3 Cs3 76.92(15) 5 6_664 ?
Cs1 Si3 Cs4 81.58(15) 5 6_664 ?
Cs1 Si3 Cs4 81.58(15) 5 6_564 ?
Cs3 Si3 Cs3 121.0(3) 6_564 6_664 ?
O7 Si3 Cs1 89.0(6) . 5 ?
O7 Si3 Cs3 63.8(2) . 6_564 ?
O7 Si3 Cs3 63.8(2) . 6_664 ?
O7 Si3 O8 110.5(6) . . ?
O7 Si3 O8 110.5(6) . 4_655 ?
O7 Si3 O6 114.6(9) . . ?
O7 Si3 Cs4 62.5(2) . 6_564 ?
O7 Si3 Cs4 62.5(2) . 6_664 ?
O8 Si3 Cs1 59.2(6) 4_655 5 ?
O8 Si3 Cs1 59.2(6) . 5 ?
O8 Si3 Cs3 136.1(6) 4_655 6_664 ?
O8 Si3 Cs3 136.1(6) . 6_564 ?
O8 Si3 Cs3 50.4(6) 4_655 6_564 ?
O8 Si3 Cs3 50.4(6) . 6_664 ?
O8 Si3 O8 102.5(14) 4_655 . ?
O8 Si3 O6 109.0(6) 4_655 . ?
O8 Si3 O6 109.0(6) . . ?
O8 Si3 Cs4 53.7(6) 4_655 6_564 ?
O8 Si3 Cs4 140.7(6) . 6_564 ?
O8 Si3 Cs4 140.7(6) 4_655 6_664 ?
O8 Si3 Cs4 53.7(6) . 6_664 ?
O6 Si3 Cs1 156.4(7) . 5 ?
O6 Si3 Cs3 112.5(3) . 6_664 ?
O6 Si3 Cs3 112.5(3) . 6_564 ?
O6 Si3 Cs4 108.6(3) . 6_564 ?
O6 Si3 Cs4 108.6(3) . 6_664 ?
Cs4 Si3 Cs3 121.89(12) 6_564 6_664 ?
Cs4 Si3 Cs3 4.8(2) 6_564 6_564 ?
Cs4 Si3 Cs3 121.89(12) 6_664 6_564 ?
Cs4 Si3 Cs3 4.8(2) 6_664 6_664 ?
Cs4 Si3 Cs4 122.3(4) 6_564 6_664 ?
Cs1 Si1 Cs1 131.00(12) . 2_564 ?
O2 Si1 Cs1 116.3(5) . . ?
O2 Si1 Cs1 94.8(6) . 2_564 ?
O2 Si1 Cs2 121.1(6) . . ?
O2 Si1 Cs2 91.1(6) . 2_564 ?
O4 Si1 Cs1 154.4(5) . 2_564 ?
O4 Si1 Cs1 48.7(5) . . ?
O4 Si1 O2 107.5(8) . . ?
O4 Si1 O1 103.7(7) . . ?
O4 Si1 Cs2 158.7(5) . 2_564 ?
O4 Si1 Cs2 49.0(5) . . ?
O1 Si1 Cs1 79.8(5) . 2_564 ?
O1 Si1 Cs1 55.3(5) . . ?
O1 Si1 O2 109.2(6) . . ?
O1 Si1 Cs2 79.1(5) . 2_564 ?
O1 Si1 Cs2 54.7(5) . . ?
O3 Si1 Cs1 132.4(5) . . ?
O3 Si1 Cs1 46.4(5) . 2_564 ?
O3 Si1 O2 111.0(7) . . ?
O3 Si1 O4 111.6(6) . . ?
O3 Si1 O1 113.4(7) . . ?
O3 Si1 Cs2 49.9(5) . 2_564 ?
O3 Si1 Cs2 127.6(5) . . ?
Cs2 Si1 Cs1 4.8(2) . . ?
Cs2 Si1 Cs1 131.8(2) 2_564 . ?
Cs2 Si1 Cs1 128.07(18) . 2_564 ?
Cs2 Si1 Cs1 4.2(2) 2_564 2_564 ?
Cs2 Si1 Cs2 129.21(17) . 2_564 ?
Cs1 Si4 Cs4 82.66(19) 5 6_664 ?
Cs3 Si4 Cs1 68.74(17) . 5 ?
Cs3 Si4 Cs1 79.49(18) 6_664 5 ?
Cs3 Si4 Cs3 147.06(13) 6_664 . ?
Cs3 Si4 Cs4 150.9(3) . 6_664 ?
Cs3 Si4 Cs4 142.2(3) 6_664 . ?
Cs3 Si4 Cs4 4.7(3) 6_664 6_664 ?
O9 Si4 Cs1 127.2(6) . 5 ?
O9 Si4 Cs3 54.7(6) . 6_664 ?
O9 Si4 Cs3 144.0(5) . . ?
O9 Si4 O8 105.4(8) . . ?
O9 Si4 Cs4 144.7(5) . . ?
O9 Si4 Cs4 53.7(5) . 6_664 ?
O10 Si4 Cs1 48.0(4) . 5 ?
O10 Si4 Cs3 102.4(4) . 6_664 ?
O10 Si4 Cs3 49.3(4) . . ?
O10 Si4 O9 113.2(6) . . ?
O10 Si4 O2 111.4(7) . 2_665 ?
O10 Si4 O8 108.0(7) . . ?
O10 Si4 Cs4 107.0(4) . 6_664 ?
O10 Si4 Cs4 45.0(4) . . ?
O2 Si4 Cs1 123.8(4) 2_665 5 ?
O2 Si4 Cs3 146.3(6) 2_665 6_664 ?
O2 Si4 Cs3 64.6(5) 2_665 . ?
O2 Si4 O9 108.9(7) 2_665 . ?
O2 Si4 O8 109.8(7) 2_665 . ?
O2 Si4 Cs4 69.5(5) 2_665 . ?
O2 Si4 Cs4 141.6(6) 2_665 6_664 ?
O8 Si4 Cs1 60.1(6) . 5 ?
O8 Si4 Cs3 110.0(7) . . ?
O8 Si4 Cs3 57.5(6) . 6_664 ?
O8 Si4 Cs4 56.2(6) . 6_664 ?
O8 Si4 Cs4 108.1(7) . . ?
Cs4 Si4 Cs1 64.20(18) . 5 ?
Cs4 Si4 Cs3 4.9(2) . . ?
Cs4 Si4 Cs4 146.07(16) . 6_664 ?
Pu1 O7 Cs3 94.1(3) 2_664 6_664 ?
Pu1 O7 Cs3 94.1(3) 2_664 6_564 ?
Pu1 O7 Cs4 90.4(3) 2_664 6_564 ?
Pu1 O7 Cs4 90.4(3) 2_664 6_664 ?
Cs3 O7 Cs3 150.6(6) 6_664 6_564 ?
Si3 O7 Pu1 146.9(10) . 2_664 ?
Si3 O7 Cs3 94.1(3) . 6_664 ?
Si3 O7 Cs3 94.1(3) . 6_564 ?
Si3 O7 Cs4 95.4(3) . 6_564 ?
Si3 O7 Cs4 95.4(3) . 6_664 ?
Cs4 O7 Cs3 5.2(2) 6_664 6_664 ?
Cs4 O7 Cs3 5.2(2) 6_564 6_564 ?
Cs4 O7 Cs3 155.1(5) 6_564 6_664 ?
Cs4 O7 Cs3 155.1(5) 6_664 6_564 ?
Cs4 O7 Cs4 159.1(6) 6_664 6_564 ?
Cs3 O9 Cs4 5.8(3) 6_664 6_664 ?
Si4 O9 Cs3 101.8(6) 4_755 6_664 ?
Si4 O9 Cs3 101.8(6) . 6_664 ?
Si4 O9 Si4 134.4(9) 4_755 . ?
Si4 O9 Cs4 103.7(6) . 6_664 ?
Si4 O9 Cs4 103.7(6) 4_755 6_664 ?
Pu1 O10 Cs1 99.1(3) 5 5 ?
Pu1 O10 Cs3 108.9(4) 5 . ?
Pu1 O10 Cs4 106.2(4) 5 . ?
Pu1 O10 Cs2 94.5(3) 5 5 ?
Cs1 O10 Cs3 90.1(3) 5 . ?
Cs1 O10 Cs2 4.8(3) 5 5 ?
Cs3 O10 Cs2 90.6(4) . 5 ?
Si4 O10 Pu1 131.1(6) . 5 ?
Si4 O10 Cs1 110.6(5) . 5 ?
Si4 O10 Cs3 108.9(5) . . ?
Si4 O10 Cs4 113.9(5) . . ?
Si4 O10 Cs2 114.9(6) . 5 ?
Cs4 O10 Cs1 85.4(3) . 5 ?
Cs4 O10 Cs3 5.9(3) . . ?
Cs4 O10 Cs2 85.5(4) . 5 ?
Pu1 O5 Cs1 88.0(3) . . ?
Pu1 O5 Cs1 88.0(3) . 1_655 ?
Pu1 O5 Cs3 119.7(6) . 2_664 ?
Pu1 O5 Cs2 89.6(5) . 1_655 ?
Pu1 O5 Cs2 89.6(5) . . ?
Cs1 O5 Cs1 173.4(5) 1_655 . ?
Cs1 O5 Cs3 88.8(3) . 2_664 ?
Cs1 O5 Cs3 88.8(3) 1_655 2_664 ?
Si2 O5 Pu1 156.7(10) . . ?
Si2 O5 Cs1 92.9(3) . . ?
Si2 O5 Cs1 92.9(3) . 1_655 ?
Si2 O5 Cs3 83.6(7) . 2_664 ?
Si2 O5 Cs2 89.3(4) . 1_655 ?
Si2 O5 Cs2 89.3(4) . . ?
Cs2 O5 Cs1 5.7(2) 1_655 1_655 ?
Cs2 O5 Cs1 5.7(2) . . ?
Cs2 O5 Cs1 177.5(6) 1_655 . ?
Cs2 O5 Cs1 177.5(6) . 1_655 ?
Cs2 O5 Cs3 92.7(4) . 2_664 ?
Cs2 O5 Cs3 92.7(4) 1_655 2_664 ?
Cs2 O5 Cs2 174.2(7) . 1_655 ?
Cs3 O2 Cs4 5.0(3) 2_664 2_664 ?
Si1 O2 Cs3 105.6(8) . 2_664 ?
Si1 O2 Cs4 110.3(8) . 2_664 ?
Si4 O2 Cs3 91.9(5) 2_664 2_664 ?
Si4 O2 Si1 146.1(7) 2_664 . ?
Si4 O2 Cs4 87.0(4) 2_664 2_664 ?
Cs1 O4 Cs3 94.5(3) . 2_664 ?
Si2 O4 Cs1 103.9(5) . . ?
Si2 O4 Cs3 83.0(6) . 2_664 ?
Si2 O4 Cs2 103.6(6) . . ?
Si1 O4 Cs1 109.8(6) . . ?
Si1 O4 Cs3 104.1(6) . 2_664 ?
Si1 O4 Si2 144.7(8) . . ?
Si1 O4 Cs2 108.7(7) . . ?
Cs2 O4 Cs1 6.1(3) . . ?
Cs2 O4 Cs3 100.6(4) . 2_664 ?
Si1 O1 Cs1 102.2(5) . . ?
Si1 O1 Cs1 102.2(5) 4 . ?
Si1 O1 Si1 155.5(10) . 4 ?
Si1 O1 Cs2 102.1(5) . . ?
Si1 O1 Cs2 102.1(5) 4 . ?
Cs2 O1 Cs1 5.7(3) . . ?
Cs3 O8 Cs1 95.6(4) 6_664 5 ?
Cs3 O8 Cs4 5.7(3) 6_664 6_664 ?
Si3 O8 Cs1 98.2(7) . 5 ?
Si3 O8 Cs3 108.5(7) . 6_664 ?
Si3 O8 Si4 147.4(9) . . ?
Si3 O8 Cs4 104.7(7) . 6_664 ?
Si4 O8 Cs1 96.5(7) . 5 ?
Si4 O8 Cs3 98.7(7) . 6_664 ?
Si4 O8 Cs4 101.0(7) . 6_664 ?
Cs4 O8 Cs1 100.5(4) 6_664 5 ?
Si2 O6 Si3 152.5(13) . . ?
Pu1 O3 Cs1 95.0(3) 2_664 2_564 ?
Pu1 O3 Cs4 90.9(4) 2_664 6_564 ?
Pu1 O3 Cs2 99.1(4) 2_664 2_564 ?
Cs1 O3 Cs4 74.6(3) 2_564 6_564 ?
Si1 O3 Pu1 147.3(8) . 2_664 ?
Si1 O3 Cs1 113.7(6) . 2_564 ?
Si1 O3 Cs4 110.9(6) . 6_564 ?
Si1 O3 Cs2 108.5(6) . 2_564 ?
Cs2 O3 Cs1 6.0(2) 2_564 2_564 ?
Cs2 O3 Cs4 79.1(4) 2_564 6_564 ?
O7 Cs4 Si4 129.3(4) 6_565 . ?
O7 Cs4 Si4 65.3(3) 6_665 . ?
O7 Cs4 O7 159.1(6) 6_665 6_565 ?
O7 Cs4 O2 125.4(4) 6_565 2_665 ?
O7 Cs4 O2 74.3(3) 6_665 2_665 ?
O7 Cs4 O2 125.4(4) 6_665 3_565 ?
O7 Cs4 O2 74.3(3) 6_565 3_565 ?
O9 Cs4 Si4 144.32(17) 6_665 . ?
O9 Cs4 O7 85.0(3) 6_665 6_665 ?
O9 Cs4 O7 85.0(3) 6_665 6_565 ?
O9 Cs4 O2 132.1(4) 6_665 2_665 ?
O9 Cs4 O2 132.1(4) 6_665 3_565 ?
O9 Cs4 O8 44.1(3) 6_665 6_665 ?
O9 Cs4 O8 44.1(3) 6_665 7_465 ?
O9 Cs4 O3 102.6(4) 6_665 6_565 ?
O9 Cs4 O3 102.6(4) 6_665 7_565 ?
O10 Cs4 Si4 76.9(4) 4_655 . ?
O10 Cs4 Si4 21.1(2) . . ?
O10 Cs4 O7 53.0(3) . 6_665 ?
O10 Cs4 O7 134.4(5) . 6_565 ?
O10 Cs4 O7 134.4(5) 4_655 6_665 ?
O10 Cs4 O7 53.0(3) 4_655 6_565 ?
O10 Cs4 O9 138.0(3) . 6_665 ?
O10 Cs4 O9 138.0(3) 4_655 6_665 ?
O10 Cs4 O10 82.8(5) 4_655 . ?
O10 Cs4 O2 43.7(3) . 2_665 ?
O10 Cs4 O2 81.4(4) . 3_565 ?
O10 Cs4 O2 81.4(4) 4_655 2_665 ?
O10 Cs4 O2 43.7(3) 4_655 3_565 ?
O10 Cs4 O8 94.5(3) 4_655 7_465 ?
O10 Cs4 O8 94.5(3) . 6_665 ?
O10 Cs4 O8 175.8(4) . 7_465 ?
O10 Cs4 O8 175.8(4) 4_655 6_665 ?
O10 Cs4 O3 52.6(3) 4_655 6_565 ?
O10 Cs4 O3 96.7(4) 4_655 7_565 ?
O10 Cs4 O3 52.6(3) . 7_565 ?
O10 Cs4 O3 96.7(4) . 6_565 ?
O2 Cs4 Si4 23.5(2) 2_665 . ?
O2 Cs4 Si4 63.0(3) 3_565 . ?
O2 Cs4 O2 51.3(3) 3_565 2_665 ?
O8 Cs4 Si4 160.8(4) 7_465 . ?
O8 Cs4 Si4 101.6(2) 6_665 . ?
O8 Cs4 O7 42.3(3) 7_465 6_565 ?
O8 Cs4 O7 42.3(3) 6_665 6_665 ?
O8 Cs4 O7 128.9(5) 6_665 6_565 ?
O8 Cs4 O7 128.9(5) 7_465 6_665 ?
O8 Cs4 O2 139.1(4) 6_665 3_565 ?
O8 Cs4 O2 98.9(4) 7_465 3_565 ?
O8 Cs4 O2 98.9(4) 6_665 2_665 ?
O8 Cs4 O2 139.1(4) 7_465 2_665 ?
O8 Cs4 O8 88.0(5) 6_665 7_465 ?
O8 Cs4 O3 79.1(3) 6_665 7_565 ?
O8 Cs4 O3 124.9(5) 7_465 7_565 ?
O8 Cs4 O3 124.9(5) 6_665 6_565 ?
O8 Cs4 O3 79.1(3) 7_465 6_565 ?
O3 Cs4 Si4 73.7(2) 7_565 . ?
O3 Cs4 Si4 107.7(3) 6_565 . ?
O3 Cs4 O7 49.6(3) 7_565 6_665 ?
O3 Cs4 O7 115.4(4) 6_565 6_665 ?
O3 Cs4 O7 115.4(4) 7_565 6_565 ?
O3 Cs4 O7 49.6(3) 6_565 6_565 ?
O3 Cs4 O2 125.2(5) 7_565 3_565 ?
O3 Cs4 O2 95.9(3) 6_565 3_565 ?
O3 Cs4 O2 95.9(3) 7_565 2_665 ?
O3 Cs4 O2 125.2(5) 6_565 2_665 ?
O3 Cs4 O3 66.4(4) 7_565 6_565 ?
Si2 Cs2 Si2 135.3(6) . 1_455 ?
Si2 Cs2 Si1 91.6(4) 1_455 . ?
Si2 Cs2 Si1 45.7(2) . . ?
O10 Cs2 Si2 74.19(19) 8_545 1_455 ?
O10 Cs2 Si2 146.4(4) 8_545 . ?
O10 Cs2 Si2 146.4(4) 5_445 1_455 ?
O10 Cs2 Si2 74.19(19) 5_445 . ?
O10 Cs2 Si1 109.3(3) 5_445 . ?
O10 Cs2 Si1 143.2(6) 8_545 . ?
O10 Cs2 O10 73.4(5) 8_545 5_445 ?
O10 Cs2 O5 51.9(3) 5_445 . ?
O10 Cs2 O5 125.1(5) 8_545 . ?
O10 Cs2 O5 125.1(5) 5_445 1_455 ?
O10 Cs2 O5 51.9(3) 8_545 1_455 ?
O5 Cs2 Si2 22.9(3) . . ?
O5 Cs2 Si2 22.9(3) 1_455 1_455 ?
O5 Cs2 Si2 157.9(7) . 1_455 ?
O5 Cs2 Si2 157.9(7) 1_455 . ?
O5 Cs2 Si1 66.5(4) . . ?
O5 Cs2 Si1 112.7(6) 1_455 . ?
O5 Cs2 O5 174.2(7) . 1_455 ?
O4 Cs2 Si2 113.8(6) . 1_455 ?
O4 Cs2 Si2 113.8(6) 4 . ?
O4 Cs2 Si2 23.8(2) . . ?
O4 Cs2 Si2 23.8(2) 4 1_455 ?
O4 Cs2 Si1 68.6(5) 4 . ?
O4 Cs2 Si1 22.3(3) . . ?
O4 Cs2 O10 149.3(6) 4 5_445 ?
O4 Cs2 O10 90.5(3) . 5_445 ?
O4 Cs2 O10 149.3(6) . 8_545 ?
O4 Cs2 O10 90.5(3) 4 8_545 ?
O4 Cs2 O5 134.9(8) . 1_455 ?
O4 Cs2 O5 44.2(3) . . ?
O4 Cs2 O5 44.2(3) 4 1_455 ?
O4 Cs2 O5 134.9(8) 4 . ?
O4 Cs2 O4 90.9(7) . 4 ?
O4 Cs2 O1 45.4(4) 4 . ?
O4 Cs2 O1 45.4(4) . . ?
O4 Cs2 O3 156.8(5) . 2_565 ?
O4 Cs2 O3 156.8(5) 4 3_565 ?
O4 Cs2 O3 93.1(3) 4 2_565 ?
O4 Cs2 O3 93.1(3) . 3_565 ?
O1 Cs2 Si2 68.7(3) . . ?
O1 Cs2 Si2 68.7(3) . 1_455 ?
O1 Cs2 Si1 23.14(14) . . ?
O1 Cs2 O10 127.5(5) . 5_445 ?
O1 Cs2 O10 127.5(5) . 8_545 ?
O1 Cs2 O5 89.5(5) . 1_455 ?
O1 Cs2 O5 89.5(5) . . ?
O3 Cs2 Si2 69.5(2) 3_565 . ?
O3 Cs2 Si2 140.6(6) 2_565 . ?
O3 Cs2 Si2 69.5(2) 2_565 1_455 ?
O3 Cs2 Si2 140.6(6) 3_565 1_455 ?
O3 Cs2 Si1 113.7(3) 3_565 . ?
O3 Cs2 Si1 151.4(4) 2_565 . ?
O3 Cs2 O10 97.6(6) 3_565 8_545 ?
O3 Cs2 O10 97.6(6) 2_565 5_445 ?
O3 Cs2 O10 53.6(3) 3_565 5_445 ?
O3 Cs2 O10 53.6(3) 2_565 8_545 ?
O3 Cs2 O5 54.4(4) 3_565 . ?
O3 Cs2 O5 54.4(4) 2_565 1_455 ?
O3 Cs2 O5 129.1(7) 3_565 1_455 ?
O3 Cs2 O5 129.1(7) 2_565 . ?
O3 Cs2 O1 134.4(4) 3_565 . ?
O3 Cs2 O1 134.4(4) 2_565 . ?
O3 Cs2 O3 74.8(7) 3_565 2_565 ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.52(4)
2 0.48(4)

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2011479'
loop_
_audit_author_name
_audit_author_address
'Vladislav Klepov'
;University of South Carolina
United States of America
;
_audit_update_record             
;
2020-06-22 deposited with the CCDC.	2020-07-10 downloaded from the CCDC.
;
_audit_creation_date             2020-06-17
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.25(Ce4 Cs8 O60 Si24)'
_chemical_formula_sum            'Ce Cs2 O15 Si6'
_chemical_formula_weight         814.48
_chemical_absolute_configuration ?
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ce Ce -0.2486 2.6331 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           36
_space_group_name_H-M_alt        'C m c 21'
_space_group_name_Hall           'C 2c -2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x, -y, z+1/2'
'-x, y, z'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z'

_cell_length_a                   7.2565(2)
_cell_length_b                   16.2451(4)
_cell_length_c                   13.4354(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1583.80(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    302(2)
_cell_measurement_reflns_used    9970
_cell_measurement_theta_min      2.93
_cell_measurement_theta_max      36.25
_shelx_estimated_absorpt_T_max   0.857
_shelx_estimated_absorpt_T_min   0.742
_exptl_absorpt_coefficient_mu    7.932
_exptl_absorpt_correction_T_max  0.2740
_exptl_absorpt_correction_T_min  0.2089
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0975 before and 0.0602 after correction.
The Ratio of minimum to maximum transmission is 0.7624.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    3.416
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1488
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0289
_diffrn_reflns_av_unetI/netI     0.0182
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14029
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.486
_diffrn_reflns_theta_min         2.508
_diffrn_ambient_temperature      302.05
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker D8 QUEST'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.917
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                1928
_reflns_number_total             1943
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         2.230
_refine_diff_density_min         -1.996
_refine_diff_density_rms         0.153
_refine_ls_abs_structure_details 
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.45(3)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     125
_refine_ls_number_reflns         1943
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0260
_refine_ls_R_factor_gt           0.0258
_refine_ls_restrained_S_all      1.115
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0164P)²+24.4700P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0585
_refine_ls_wR_factor_ref         0.0586
_refine_special_details          
;
 Refined as a 2-component inversion twin.
;
_olex2_refinement_description    
;
1. Twinned data refinement
 Scales: 0.55(3)
 0.45(3)
2. Uiso/Uaniso restraints and constraints
Uanis(O7) \\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.02
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
Ce1 Ce 0.5000 0.63159(3) 0.33901(5) 0.01383(13) Uani 1 2 d S T P . .
Cs1 Cs 0.5000 0.11023(6) 0.49383(7) 0.0350(2) Uani 1 2 d S T P . .
Cs2 Cs 0.5000 0.22173(8) 0.18995(8) 0.0488(3) Uani 1 2 d S T P . .
Si2 Si 0.5000 0.5465(2) 0.5920(3) 0.0146(6) Uani 1 2 d S T P . .
Si3 Si 0.5000 0.35679(18) 0.5707(2) 0.0109(6) Uani 1 2 d S T P . .
Si1 Si 0.7826(4) 0.54257(15) 0.76366(19) 0.0224(5) Uani 1 1 d . . . . .
Si4 Si 0.2056(3) 0.31547(15) 0.4153(2) 0.0217(5) Uani 1 1 d . . . . .
O8 O 0.0000 0.3385(6) 0.4524(7) 0.026(2) Uani 1 2 d S T P . .
O10 O 0.2168(9) 0.2263(4) 0.3685(5) 0.0267(16) Uani 1 1 d . . . . .
O5 O 0.5000 0.4544(6) 0.5560(9) 0.052(4) Uani 1 2 d S T P . .
O9 O 0.2753(9) 0.3838(4) 0.3375(7) 0.0352(15) Uani 1 1 d . . . . .
O4 O 0.5000 0.6067(7) 0.5008(8) 0.038(3) Uani 1 2 d S T P . .
O3 O 0.6799(12) 0.5612(6) 0.6590(6) 0.048(2) Uani 1 1 d . . . . .
O2 O 1.0000 0.5494(6) 0.7387(7) 0.027(2) Uani 1 2 d S T P . .
O6 O 0.5000 0.3292(6) 0.6829(7) 0.033(2) Uani 1 2 d S T P . .
O1 O 0.7271(13) 0.4554(4) 0.8085(5) 0.041(2) Uani 1 1 d . . . . .
O7 O 0.3259(14) 0.3191(6) 0.5160(7) 0.059(3) Uani 1 1 d . U . . .


_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
Ce1 Cs1 4.1966(6) 5 ?
Ce1 Cs1 4.1966(6) 5_455 ?
Ce1 Cs2 4.3953(8) 5 ?
Ce1 Cs2 4.3953(8) 5_455 ?
Ce1 Si4 3.493(2) 5 ?
Ce1 Si4 3.493(2) 8 ?
Ce1 O10 2.236(6) 8 ?
Ce1 O10 2.236(6) 5 ?
Ce1 O4 2.211(10) . ?
Ce1 O6 2.192(9) 2_664 ?
Ce1 O1 2.209(7) 2_664 ?
Ce1 O1 2.209(7) 3_564 ?
Cs1 Si2 3.9968(15) 5_545 ?
Cs1 O10 3.258(6) . ?
Cs1 O10 3.258(6) 4_655 ?
Cs1 O4 3.6299(4) 5_545 ?
Cs1 O4 3.6299(3) 5_445 ?
Cs1 O3 3.310(8) 8_645 ?
Cs1 O3 3.310(8) 5_445 ?
Cs1 O2 3.435(9) 5_445 ?
Cs1 O1 3.355(8) 7_454 ?
Cs1 O1 3.355(8) 6_654 ?
Cs1 O7 3.633(10) . ?
Cs1 O7 3.632(10) 4_655 ?
Cs2 O8 3.338(10) 6_554 ?
Cs2 O10 3.159(7) 4_655 ?
Cs2 O10 3.159(7) . ?
Cs2 O9 3.677(8) . ?
Cs2 O9 3.677(8) 4_655 ?
Cs2 O4 3.772(11) 2_664 ?
Cs2 O3 3.783(10) 2_664 ?
Cs2 O3 3.783(10) 3_564 ?
Cs2 O6 3.723(2) 6_654 ?
Cs2 O6 3.723(2) 6_554 ?
Cs2 O7 3.390(11) 6_554 ?
Cs2 O7 3.390(11) 7_554 ?
Si2 Cs1 3.9968(15) 5 ?
Si2 Cs1 3.9968(15) 5_455 ?
Si2 Cs2 3.988(4) 2_665 ?
Si2 O5 1.573(11) . ?
Si2 O4 1.568(10) . ?
Si2 O3 1.603(8) 4_655 ?
Si2 O3 1.603(8) . ?
Si3 Cs2 4.1661(16) 6 ?
Si3 Cs2 4.1661(16) 6_655 ?
Si3 O5 1.598(11) . ?
Si3 O6 1.572(10) . ?
Si3 O7 1.586(8) . ?
Si3 O7 1.586(8) 4_655 ?
Si1 Cs1 4.104(3) 5 ?
Si1 Cs1 4.267(3) 6_655 ?
Si1 O9 1.610(8) 2_665 ?
Si1 O3 1.620(8) . ?
Si1 O2 1.616(3) . ?
Si1 O1 1.592(6) . ?
Si4 Ce1 3.493(2) 5_445 ?
Si4 Cs2 4.026(3) 6 ?
Si4 O8 1.617(4) . ?
Si4 O10 1.581(7) . ?
Si4 O9 1.606(8) . ?
Si4 O7 1.611(8) . ?
O8 Cs2 3.338(10) 6 ?
O8 Si4 1.617(4) 4 ?
O10 Ce1 2.236(6) 5_445 ?
O9 Si1 1.610(8) 2_664 ?
O4 Cs1 3.6299(3) 5 ?
O4 Cs1 3.6299(3) 5_455 ?
O4 Cs2 3.772(11) 2_665 ?
O3 Cs1 3.310(8) 5 ?
O3 Cs2 3.783(10) 2_665 ?
O2 Cs1 3.435(9) 5 ?
O2 Si1 1.616(3) 4_755 ?
O6 Ce1 2.192(9) 2_665 ?
O6 Cs2 3.723(2) 6_655 ?
O6 Cs2 3.723(2) 6 ?
O1 Ce1 2.209(7) 2_665 ?
O1 Cs1 3.355(8) 6_655 ?
O7 Cs2 3.390(11) 6 ?

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
Cs1 Ce1 Cs1 119.67(3) 5 5_455 ?
Cs1 Ce1 Cs2 165.26(3) 5_455 5 ?
Cs1 Ce1 Cs2 165.26(3) 5 5_455 ?
Cs1 Ce1 Cs2 62.594(16) 5 5 ?
Cs1 Ce1 Cs2 62.594(16) 5_455 5_455 ?
Cs2 Ce1 Cs2 111.27(3) 5_455 5 ?
Si4 Ce1 Cs1 107.13(5) 5 5_455 ?
Si4 Ce1 Cs1 63.64(4) 8 5_455 ?
Si4 Ce1 Cs1 63.64(4) 5 5 ?
Si4 Ce1 Cs1 107.13(5) 8 5 ?
Si4 Ce1 Cs2 101.61(4) 8 5 ?
Si4 Ce1 Cs2 59.75(5) 8 5_455 ?
Si4 Ce1 Cs2 59.75(5) 5 5 ?
Si4 Ce1 Cs2 101.61(4) 5 5_455 ?
Si4 Ce1 Si4 50.57(9) 5 8 ?
O10 Ce1 Cs1 125.28(18) 8 5 ?
O10 Ce1 Cs1 125.28(18) 5 5_455 ?
O10 Ce1 Cs1 50.27(16) 5 5 ?
O10 Ce1 Cs1 50.27(16) 8 5_455 ?
O10 Ce1 Cs2 115.61(16) 8 5 ?
O10 Ce1 Cs2 115.61(16) 5 5_455 ?
O10 Ce1 Cs2 43.16(18) 8 5_455 ?
O10 Ce1 Cs2 43.16(18) 5 5 ?
O10 Ce1 Si4 70.13(17) 5 8 ?
O10 Ce1 Si4 19.78(17) 8 8 ?
O10 Ce1 Si4 70.13(17) 8 5 ?
O10 Ce1 Si4 19.78(17) 5 5 ?
O10 Ce1 O10 89.4(3) 5 8 ?
O4 Ce1 Cs1 59.840(14) . 5_455 ?
O4 Ce1 Cs1 59.840(14) . 5 ?
O4 Ce1 Cs2 120.59(8) . 5 ?
O4 Ce1 Cs2 120.59(8) . 5_455 ?
O4 Ce1 Si4 82.4(3) . 5 ?
O4 Ce1 Si4 82.4(3) . 8 ?
O4 Ce1 O10 87.2(3) . 5 ?
O4 Ce1 O10 87.2(3) . 8 ?
O6 Ce1 Cs1 119.89(2) 2_664 5_455 ?
O6 Ce1 Cs1 119.89(2) 2_664 5 ?
O6 Ce1 Cs2 57.81(6) 2_664 5 ?
O6 Ce1 Cs2 57.81(6) 2_664 5_455 ?
O6 Ce1 Si4 91.9(2) 2_664 8 ?
O6 Ce1 Si4 91.9(2) 2_664 5 ?
O6 Ce1 O10 88.3(3) 2_664 8 ?
O6 Ce1 O10 88.3(3) 2_664 5 ?
O6 Ce1 O4 173.7(4) 2_664 . ?
O6 Ce1 O1 90.5(3) 2_664 3_564 ?
O6 Ce1 O1 90.5(3) 2_664 2_664 ?
O1 Ce1 Cs1 133.2(2) 2_664 5 ?
O1 Ce1 Cs1 52.7(2) 3_564 5 ?
O1 Ce1 Cs1 133.2(2) 3_564 5_455 ?
O1 Ce1 Cs1 52.7(2) 2_664 5_455 ?
O1 Ce1 Cs2 60.8(2) 3_564 5 ?
O1 Ce1 Cs2 138.1(2) 2_664 5 ?
O1 Ce1 Cs2 60.8(2) 2_664 5_455 ?
O1 Ce1 Cs2 138.1(2) 3_564 5_455 ?
O1 Ce1 Si4 156.9(2) 2_664 5 ?
O1 Ce1 Si4 106.4(2) 2_664 8 ?
O1 Ce1 Si4 156.9(2) 3_564 8 ?
O1 Ce1 Si4 106.4(2) 3_564 5 ?
O1 Ce1 O10 87.0(3) 2_664 8 ?
O1 Ce1 O10 176.3(3) 2_664 5 ?
O1 Ce1 O10 176.3(3) 3_564 8 ?
O1 Ce1 O10 87.0(3) 3_564 5 ?
O1 Ce1 O4 93.8(3) 3_564 . ?
O1 Ce1 O4 93.8(3) 2_664 . ?
O1 Ce1 O1 96.5(5) 2_664 3_564 ?
O10 Cs1 Si2 153.25(13) . 5_545 ?
O10 Cs1 Si2 75.40(12) 4_655 5_545 ?
O10 Cs1 O10 78.2(2) . 4_655 ?
O10 Cs1 O4 130.7(2) 4_655 5_445 ?
O10 Cs1 O4 52.6(2) . 5_445 ?
O10 Cs1 O4 130.7(2) . 5_545 ?
O10 Cs1 O4 52.55(19) 4_655 5_545 ?
O10 Cs1 O3 158.2(2) . 8_645 ?
O10 Cs1 O3 92.48(19) . 5_445 ?
O10 Cs1 O3 158.2(2) 4_655 5_445 ?
O10 Cs1 O3 92.48(19) 4_655 8_645 ?
O10 Cs1 O2 131.43(15) . 5_445 ?
O10 Cs1 O2 131.43(15) 4_655 5_445 ?
O10 Cs1 O1 99.93(19) . 6_654 ?
O10 Cs1 O1 99.93(18) 4_655 7_454 ?
O10 Cs1 O1 55.10(16) 4_655 6_654 ?
O10 Cs1 O1 55.10(16) . 7_454 ?
O10 Cs1 O7 73.81(19) 4_655 . ?
O10 Cs1 O7 73.81(19) . 4_655 ?
O10 Cs1 O7 44.14(17) . . ?
O10 Cs1 O7 44.14(17) 4_655 4_655 ?
O4 Cs1 Si2 23.09(16) 5_545 5_545 ?
O4 Cs1 Si2 153.49(17) 5_445 5_545 ?
O4 Cs1 O4 176.6(3) 5_545 5_445 ?
O4 Cs1 O7 70.4(2) 5_545 4_655 ?
O4 Cs1 O7 70.4(2) 5_445 . ?
O4 Cs1 O7 111.1(2) 5_445 4_655 ?
O4 Cs1 O7 111.1(2) 5_545 . ?
O3 Cs1 Si2 22.97(13) 8_645 5_545 ?
O3 Cs1 Si2 110.71(15) 5_445 5_545 ?
O3 Cs1 O4 43.7(2) 5_445 5_445 ?
O3 Cs1 O4 132.9(2) 8_645 5_445 ?
O3 Cs1 O4 43.7(2) 8_645 5_545 ?
O3 Cs1 O4 132.9(2) 5_445 5_545 ?
O3 Cs1 O3 89.2(3) 8_645 5_445 ?
O3 Cs1 O2 44.66(13) 5_445 5_445 ?
O3 Cs1 O2 44.66(13) 8_645 5_445 ?
O3 Cs1 O1 90.39(19) 5_445 7_454 ?
O3 Cs1 O1 146.65(19) 5_445 6_654 ?
O3 Cs1 O1 146.65(19) 8_645 7_454 ?
O3 Cs1 O1 90.39(19) 8_645 6_654 ?
O3 Cs1 O7 114.5(2) 5_445 4_655 ?
O3 Cs1 O7 85.7(2) 8_645 4_655 ?
O3 Cs1 O7 85.7(2) 5_445 . ?
O3 Cs1 O7 114.5(2) 8_645 . ?
O2 Cs1 Si2 67.01(5) 5_445 5_545 ?
O2 Cs1 O4 88.33(16) 5_445 5_545 ?
O2 Cs1 O4 88.33(16) 5_445 5_445 ?
O2 Cs1 O7 101.0(2) 5_445 4_655 ?
O2 Cs1 O7 101.0(2) 5_445 . ?
O1 Cs1 Si2 134.31(13) 7_454 5_545 ?
O1 Cs1 Si2 68.09(15) 6_654 5_545 ?
O1 Cs1 O4 127.2(2) 7_454 5_545 ?
O1 Cs1 O4 54.8(2) 6_654 5_545 ?
O1 Cs1 O4 54.8(2) 7_454 5_445 ?
O1 Cs1 O4 127.2(2) 6_654 5_445 ?
O1 Cs1 O2 128.27(18) 7_454 5_445 ?
O1 Cs1 O2 128.27(17) 6_654 5_445 ?
O1 Cs1 O1 72.3(3) 7_454 6_654 ?
O1 Cs1 O7 98.74(17) 6_654 4_655 ?
O1 Cs1 O7 124.2(2) 6_654 . ?
O1 Cs1 O7 98.74(17) 7_454 . ?
O1 Cs1 O7 124.2(2) 7_454 4_655 ?
O7 Cs1 Si2 122.04(14) . 5_545 ?
O7 Cs1 Si2 84.20(16) 4_655 5_545 ?
O7 Cs1 O7 40.7(3) 4_655 . ?
O8 Cs2 O9 136.50(18) 6_554 4_655 ?
O8 Cs2 O9 136.50(18) 6_554 . ?
O8 Cs2 O4 64.7(2) 6_554 2_664 ?
O8 Cs2 O3 99.68(19) 6_554 2_664 ?
O8 Cs2 O3 99.68(19) 6_554 3_564 ?
O8 Cs2 O6 84.86(15) 6_554 6_554 ?
O8 Cs2 O6 84.86(15) 6_554 6_654 ?
O8 Cs2 O7 44.23(14) 6_554 7_554 ?
O8 Cs2 O7 44.23(14) 6_554 6_554 ?
O10 Cs2 O8 137.12(13) 4_655 6_554 ?
O10 Cs2 O8 137.12(13) . 6_554 ?
O10 Cs2 O10 81.2(2) 4_655 . ?
O10 Cs2 O9 44.39(16) 4_655 4_655 ?
O10 Cs2 O9 44.39(16) . . ?
O10 Cs2 O9 82.08(17) 4_655 . ?
O10 Cs2 O9 82.08(17) . 4_655 ?
O10 Cs2 O4 119.61(16) 4_655 2_664 ?
O10 Cs2 O4 119.62(16) . 2_664 ?
O10 Cs2 O3 106.61(17) . 3_564 ?
O10 Cs2 O3 106.61(17) 4_655 2_664 ?
O10 Cs2 O3 80.63(16) . 2_664 ?
O10 Cs2 O3 80.63(16) 4_655 3_564 ?
O10 Cs2 O6 52.46(18) . 6_554 ?
O10 Cs2 O6 52.46(18) 4_655 6_654 ?
O10 Cs2 O6 131.19(19) 4_655 6_554 ?
O10 Cs2 O6 131.19(19) . 6_654 ?
O10 Cs2 O7 94.27(18) 4_655 7_554 ?
O10 Cs2 O7 94.27(18) . 6_554 ?
O10 Cs2 O7 169.0(2) . 7_554 ?
O10 Cs2 O7 169.0(2) 4_655 6_554 ?
O9 Cs2 O9 52.6(2) 4_655 . ?
O9 Cs2 O4 80.46(19) . 2_664 ?
O9 Cs2 O4 80.46(19) 4_655 2_664 ?
O9 Cs2 O3 62.92(16) . 3_564 ?
O9 Cs2 O3 62.92(16) 4_655 2_664 ?
O9 Cs2 O3 40.44(17) . 2_664 ?
O9 Cs2 O3 40.44(17) 4_655 3_564 ?
O9 Cs2 O6 74.98(17) 4_655 6_654 ?
O9 Cs2 O6 127.24(18) . 6_654 ?
O9 Cs2 O6 74.98(17) . 6_554 ?
O9 Cs2 O6 127.24(18) 4_655 6_554 ?
O4 Cs2 O3 40.29(17) 2_664 2_664 ?
O4 Cs2 O3 40.29(17) 2_664 3_564 ?
O3 Cs2 O3 40.4(2) 3_564 2_664 ?
O6 Cs2 O4 98.46(14) 6_554 2_664 ?
O6 Cs2 O4 98.46(14) 6_654 2_664 ?
O6 Cs2 O3 122.73(18) 6_554 3_564 ?
O6 Cs2 O3 122.73(18) 6_654 2_664 ?
O6 Cs2 O3 82.43(18) 6_554 2_664 ?
O6 Cs2 O3 82.43(18) 6_654 3_564 ?
O6 Cs2 O6 154.1(3) 6_554 6_654 ?
O7 Cs2 O9 145.2(2) 6_554 4_655 ?
O7 Cs2 O9 101.7(2) 7_554 4_655 ?
O7 Cs2 O9 101.7(2) 6_554 . ?
O7 Cs2 O9 145.2(2) 7_554 . ?
O7 Cs2 O4 71.32(18) 7_554 2_664 ?
O7 Cs2 O4 71.32(18) 6_554 2_664 ?
O7 Cs2 O3 82.3(2) 6_554 2_664 ?
O7 Cs2 O3 110.30(19) 7_554 2_664 ?
O7 Cs2 O3 82.3(2) 7_554 3_564 ?
O7 Cs2 O3 110.30(19) 6_554 3_564 ?
O7 Cs2 O6 42.2(2) 6_554 6_554 ?
O7 Cs2 O6 128.2(2) 7_554 6_554 ?
O7 Cs2 O6 128.2(2) 6_554 6_654 ?
O7 Cs2 O6 42.2(2) 7_554 6_654 ?
O7 Cs2 O7 88.4(3) 6_554 7_554 ?
Cs1 Si2 Cs1 130.40(9) 5_455 5 ?
Cs2 Si2 Cs1 82.21(5) 2_665 5_455 ?
Cs2 Si2 Cs1 82.21(5) 2_665 5 ?
O5 Si2 Cs1 98.32(19) . 5_455 ?
O5 Si2 Cs1 98.32(19) . 5 ?
O5 Si2 Cs2 178.7(5) . 2_665 ?
O5 Si2 O3 108.3(5) . 4_655 ?
O5 Si2 O3 108.3(5) . . ?
O4 Si2 Cs1 65.20(5) . 5_455 ?
O4 Si2 Cs1 65.20(5) . 5 ?
O4 Si2 Cs2 70.7(4) . 2_665 ?
O4 Si2 O5 110.7(6) . . ?
O4 Si2 O3 110.3(4) . 4_655 ?
O4 Si2 O3 110.3(4) . . ?
O3 Si2 Cs1 152.4(4) . 5_455 ?
O3 Si2 Cs1 53.7(3) 4_655 5_455 ?
O3 Si2 Cs1 152.4(4) 4_655 5 ?
O3 Si2 Cs1 53.7(3) . 5 ?
O3 Si2 Cs2 71.0(4) 4_655 2_665 ?
O3 Si2 Cs2 71.0(4) . 2_665 ?
O3 Si2 O3 109.0(7) 4_655 . ?
Cs1 Si3 Cs2 78.44(5) . 6_655 ?
Cs1 Si3 Cs2 78.44(5) . 6 ?
Cs2 Si3 Cs2 121.13(8) 6_655 6 ?
O5 Si3 Cs1 158.4(5) . . ?
O5 Si3 Cs2 110.58(18) . 6_655 ?
O5 Si3 Cs2 110.58(18) . 6 ?
O6 Si3 Cs1 87.9(4) . . ?
O6 Si3 Cs2 62.89(8) . 6 ?
O6 Si3 Cs2 62.89(8) . 6_655 ?
O6 Si3 O5 113.7(6) . . ?
O6 Si3 O7 109.6(4) . 4_655 ?
O6 Si3 O7 109.6(4) . . ?
O7 Si3 Cs1 60.6(4) . . ?
O7 Si3 Cs1 60.6(4) 4_655 . ?
O7 Si3 Cs2 50.7(4) . 6 ?
O7 Si3 Cs2 50.7(4) 4_655 6_655 ?
O7 Si3 Cs2 139.0(4) 4_655 6 ?
O7 Si3 Cs2 139.0(4) . 6_655 ?
O7 Si3 O5 109.0(4) 4_655 . ?
O7 Si3 O5 109.0(4) . . ?
O7 Si3 O7 105.7(8) . 4_655 ?
Cs1 Si1 Cs1 130.84(7) 5 6_655 ?
O9 Si1 Cs1 116.5(3) 2_665 5 ?
O9 Si1 Cs1 94.7(4) 2_665 6_655 ?
O9 Si1 O3 106.0(5) 2_665 . ?
O9 Si1 O2 109.4(4) 2_665 . ?
O3 Si1 Cs1 155.2(3) . 6_655 ?
O3 Si1 Cs1 50.2(3) . 5 ?
O2 Si1 Cs1 80.2(3) . 6_655 ?
O2 Si1 Cs1 54.8(3) . 5 ?
O2 Si1 O3 104.8(5) . . ?
O1 Si1 Cs1 132.1(3) . 5 ?
O1 Si1 Cs1 45.7(3) . 6_655 ?
O1 Si1 O9 111.2(4) . 2_665 ?
O1 Si1 O3 112.2(4) . . ?
O1 Si1 O2 112.7(5) . . ?
Ce1 Si4 Cs1 66.57(4) 5_445 . ?
Ce1 Si4 Cs2 71.39(5) 5_445 . ?
Ce1 Si4 Cs2 88.99(6) 5_445 6 ?
Cs2 Si4 Cs1 66.88(5) . . ?
Cs2 Si4 Cs1 80.51(5) 6 . ?
Cs2 Si4 Cs2 146.43(7) . 6 ?
O8 Si4 Ce1 83.9(3) . 5_445 ?
O8 Si4 Cs1 126.1(4) . . ?
O8 Si4 Cs2 144.4(3) . . ?
O8 Si4 Cs2 53.8(4) . 6 ?
O10 Si4 Ce1 28.6(2) . 5_445 ?
O10 Si4 Cs1 48.0(3) . . ?
O10 Si4 Cs2 47.4(3) . . ?
O10 Si4 Cs2 104.3(3) . 6 ?
O10 Si4 O8 112.5(4) . . ?
O10 Si4 O9 111.0(4) . . ?
O10 Si4 O7 109.8(5) . . ?
O9 Si4 Ce1 122.3(3) . 5_445 ?
O9 Si4 Cs1 124.4(3) . . ?
O9 Si4 Cs2 66.6(3) . . ?
O9 Si4 Cs2 144.8(3) . 6 ?
O9 Si4 O8 109.4(5) . . ?
O9 Si4 O7 110.5(5) . . ?
O7 Si4 Ce1 120.6(3) . 5_445 ?
O7 Si4 Cs1 62.0(4) . . ?
O7 Si4 Cs2 55.7(4) . 6 ?
O7 Si4 Cs2 111.1(4) . . ?
O7 Si4 O8 103.4(5) . . ?
Si4 O8 Cs2 103.1(4) . 6 ?
Si4 O8 Cs2 103.1(4) 4 6 ?
Si4 O8 Si4 134.6(6) 4 . ?
Ce1 O10 Cs1 97.9(2) 5_445 . ?
Ce1 O10 Cs2 107.9(2) 5_445 . ?
Cs2 O10 Cs1 88.20(16) . . ?
Si4 O10 Ce1 131.6(4) . 5_445 ?
Si4 O10 Cs1 110.9(3) . . ?
Si4 O10 Cs2 110.9(3) . . ?
Si2 O5 Si3 154.9(9) . . ?
Si1 O9 Cs2 108.4(4) 2_664 . ?
Si4 O9 Cs2 89.7(3) . . ?
Si4 O9 Si1 146.3(5) . 2_664 ?
Ce1 O4 Cs1 88.39(17) . 5_455 ?
Ce1 O4 Cs1 88.39(17) . 5 ?
Ce1 O4 Cs2 121.8(4) . 2_665 ?
Cs1 O4 Cs1 176.6(3) 5 5_455 ?
Cs1 O4 Cs2 90.33(18) 5_455 2_665 ?
Cs1 O4 Cs2 90.33(18) 5 2_665 ?
Si2 O4 Ce1 151.9(7) . . ?
Si2 O4 Cs1 91.71(16) . 5_455 ?
Si2 O4 Cs1 91.71(16) . 5 ?
Si2 O4 Cs2 86.2(4) . 2_665 ?
Cs1 O3 Cs2 95.25(19) 5 2_665 ?
Si2 O3 Cs1 103.3(3) . 5 ?
Si2 O3 Cs2 85.4(4) . 2_665 ?
Si2 O3 Si1 146.5(5) . . ?
Si1 O3 Cs1 107.7(4) . 5 ?
Si1 O3 Cs2 103.7(4) . 2_665 ?
Si1 O2 Cs1 102.6(3) . 5 ?
Si1 O2 Cs1 102.6(3) 4_755 5 ?
Si1 O2 Si1 154.7(7) . 4_755 ?
Ce1 O6 Cs2 92.30(15) 2_665 6 ?
Ce1 O6 Cs2 92.30(15) 2_665 6_655 ?
Cs2 O6 Cs2 154.1(3) 6 6_655 ?
Si3 O6 Ce1 146.6(6) . 2_665 ?
Si3 O6 Cs2 95.04(16) . 6_655 ?
Si3 O6 Cs2 95.04(16) . 6 ?
Ce1 O1 Cs1 95.7(2) 2_665 6_655 ?
Si1 O1 Ce1 145.9(6) . 2_665 ?
Si1 O1 Cs1 114.5(4) . 6_655 ?
Cs2 O7 Cs1 96.7(2) 6 . ?
Si3 O7 Cs1 97.0(4) . . ?
Si3 O7 Cs2 108.1(4) . 6 ?
Si3 O7 Si4 146.7(6) . . ?
Si4 O7 Cs1 94.9(4) . . ?
Si4 O7 Cs2 101.2(4) . 6 ?

_olex2_submission_special_instructions 'No special instructions were received'
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.55(3)
2 0.45(3)

