# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# 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 2130795'
loop_
_audit_author_name
_audit_author_address
Tianjin
;Tianjin
China
;
_audit_update_record             
;
2021-12-24 deposited with the CCDC.	2022-03-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'B5 Cs Li2 O15 Y4'
_chemical_formula_weight         796.48

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
Y Y -2.7962 3.5667 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_H-M_alt        'P 2/n'
_space_group_name_Hall           '-P 2yac'

_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'
'-x, -y, -z'
'x-1/2, -y, z-1/2'

_cell_length_a                   10.5584(5)
_cell_length_b                   6.3942(3)
_cell_length_c                   19.8267(9)
_cell_angle_alpha                90
_cell_angle_beta                 105.267(2)
_cell_angle_gamma                90
_cell_volume                     1291.31(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    5399
_cell_measurement_theta_min      2.50
_cell_measurement_theta_max      27.47

_exptl_crystal_description       bulk
_exptl_crystal_colour            lucency
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    4.097
_exptl_crystal_F_000             1448
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    20.663
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            10086
_diffrn_reflns_av_unetI/netI     0.0348
_diffrn_reflns_av_R_equivalents  0.0380
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.501
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measured_fraction_theta_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_point_group_measured_fraction_full 0.991
_reflns_number_total             2899
_reflns_number_gt                2580
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0092P)²+1.7587P] 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-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.00508(13)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         2899
_refine_ls_number_parameters     230
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0266
_refine_ls_R_factor_gt           0.0214
_refine_ls_wR_factor_ref         0.0456
_refine_ls_wR_factor_gt          0.0440
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_restrained_S_all      1.063
_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 0.05516(2) 0.09313(4) 0.35895(2) 0.01203(8) Uani 1 1 d . . . . .
Li1 Li 0.3610(6) -0.0225(9) 0.3479(3) 0.0111(12) Uani 1 1 d . . . . .
Li2 Li 0.2773(6) 0.0172(9) 0.6565(3) 0.0101(12) Uani 1 1 d . . . . .
Y1 Y 0.54378(3) 0.34128(5) 0.35041(2) 0.00452(8) Uani 1 1 d . . . . .
Y2 Y 0.14322(3) 0.35882(5) 0.55383(2) 0.00448(8) Uani 1 1 d . . . . .
Y3 Y -0.250000 -0.40511(7) 0.250000 0.00934(11) Uani 1 2 d S T P . .
Y4 Y 0.34403(3) -0.35437(5) 0.45442(2) 0.00478(8) Uani 1 1 d . . . . .
Y5 Y 0.250000 0.58630(7) 0.250000 0.00568(10) Uani 1 2 d S T P . .
B1 B -0.0448(4) 0.4095(6) 0.6766(2) 0.0056(7) Uiso 1 1 d . . . . .
B2 B 0.750000 0.1640(8) 0.250000 0.0051(10) Uiso 1 2 d S . P . .
B3 B 0.1566(4) -0.1907(6) 0.5481(2) 0.0060(7) Uiso 1 1 d . . . . .
B4 B 0.250000 1.1556(8) 0.250000 0.0062(11) Uani 1 2 d S T P . .
B5 B 0.5489(3) -0.2185(6) 0.35163(19) 0.0060(8) Uani 1 1 d . . . . .
B6 B 0.3576(4) 0.1988(6) 0.4586(2) 0.0065(7) Uiso 1 1 d . . . . .
O1 O 0.3369(2) 0.3285(4) 0.64816(13) 0.0066(5) Uani 1 1 d . . . . .
O2 O 0.0658(2) 0.3725(4) 0.65318(14) 0.0121(5) Uani 1 1 d . . . . .
O3 O 0.4419(2) -0.3293(3) 0.36152(13) 0.0073(5) Uani 1 1 d . . . . .
O4 O 0.1701(2) -0.3518(4) 0.35835(13) 0.0107(5) Uani 1 1 d . . . . .
O5 O 0.5324(2) -0.3198(4) 0.54646(12) 0.0061(5) Uani 1 1 d . . . . .
O6 O 0.3178(2) 0.2661(4) 0.30773(12) 0.0064(5) Uani 1 1 d . . . . .
O7 O 0.2717(2) -0.3085(4) 0.55346(12) 0.0061(5) Uani 1 1 d . . . . .
O8 O 0.250000 0.9399(5) 0.250000 0.0099(7) Uani 1 2 d S T P . .
O9 O 0.4707(3) 0.4971(4) 0.24047(13) 0.0141(5) Uani 1 1 d . . . . .
O10 O -0.0446(2) 0.3100(4) 0.47448(13) 0.0099(5) Uani 1 1 d . . . . .
O11 O 0.7182(2) 0.2764(4) 0.30208(12) 0.0086(5) Uani 1 1 d . . . . .
O12 O 0.1568(2) 0.0100(4) 0.56862(13) 0.0077(5) Uani 1 1 d . . . . .
O13 O 0.2634(2) 0.3195(4) 0.47752(13) 0.0091(5) Uani 1 1 d . . . . .
O14 O 0.5413(2) -0.0098(4) 0.34181(13) 0.0100(5) Uani 1 1 d . . . . .
O15 O 0.3420(2) -0.0047(4) 0.44086(13) 0.0080(5) Uani 1 1 d . . . . .
O16 O 0.750000 -0.0500(5) 0.250000 0.0102(7) Uani 1 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
Cs1 O12 3.033(2) 3_556 ?
Cs1 O10 3.090(2) . ?
Cs1 O4 3.094(2) . ?
Cs1 O15 3.100(2) . ?
Cs1 O13 3.120(3) . ?
Cs1 O9 3.217(3) 2 ?
Cs1 O2 3.224(2) 3_556 ?
Cs1 B1 3.253(4) 3_566 ?
Cs1 B1 3.286(4) 3_556 ?
Cs1 B3 3.309(3) 3_556 ?
Cs1 B6 3.352(4) . ?
Cs1 Li1 3.376(6) . ?
Li1 O15 1.910(6) . ?
Li1 O14 1.940(6) . ?
Li1 O8 2.000(6) 1_545 ?
Li1 O6 2.014(7) . ?
Li1 O3 2.128(6) . ?
Li1 B4 2.289(7) 1_545 ?
Li1 B5 2.331(7) . ?
Li1 B6 2.620(7) . ?
Li1 Y1 3.014(6) . ?
Li1 Y4 3.033(6) . ?
Li1 Y5 3.194(6) 1_545 ?
Li2 O12 1.867(7) . ?
Li2 O14 1.907(6) 3_656 ?
Li2 O16 1.962(6) 3_656 ?
Li2 O11 2.045(6) 3_656 ?
Li2 O1 2.107(6) . ?
Li2 B2 2.269(6) 3_656 ?
Li2 B5 2.281(6) 3_656 ?
Li2 B3 2.562(7) . ?
Li2 Y1 2.996(6) 3_656 ?
Li2 Y2 3.066(6) . ?
Li2 Y3 3.156(6) 3_556 ?
Y1 O14 2.251(2) . ?
Y1 O11 2.326(2) . ?
Y1 O9 2.335(2) . ?
Y1 O7 2.348(2) 3_656 ?
Y1 O6 2.361(2) . ?
Y1 O5 2.390(2) 3_656 ?
Y1 O3 2.401(2) 1_565 ?
Y1 O1 2.455(2) 3_666 ?
Y1 B5 2.815(4) 1_565 ?
Y1 Y5 3.5759(4) . ?
Y2 O10 2.205(2) . ?
Y2 O13 2.230(2) . ?
Y2 O12 2.249(2) . ?
Y2 O2 2.325(2) . ?
Y2 O10 2.361(2) 3_566 ?
Y2 O1 2.388(2) . ?
Y2 O7 2.524(2) 1_565 ?
Y2 B3 2.888(4) 1_565 ?
Y2 Y2 3.6827(7) 3_566 ?
Y2 Y4 3.7341(4) 1_565 ?
Y2 Y3 3.7653(4) 3_556 ?
Y3 O16 2.271(3) 1_455 ?
Y3 O11 2.347(2) 2_545 ?
Y3 O11 2.347(2) 1_445 ?
Y3 O2 2.355(3) 3_556 ?
Y3 O2 2.355(3) 4 ?
Y3 O1 2.477(2) 3_556 ?
Y3 O1 2.477(2) 4 ?
Y3 B2 2.755(5) 1_445 ?
Y3 B1 3.069(4) 4 ?
Y3 B1 3.069(4) 3_556 ?
Y4 O15 2.251(2) . ?
Y4 O4 2.271(3) . ?
Y4 O7 2.305(2) . ?
Y4 O5 2.329(2) . ?
Y4 O13 2.343(2) 1_545 ?
Y4 O3 2.343(2) . ?
Y4 O5 2.461(2) 3_646 ?
Y4 B6 2.861(4) 1_545 ?
Y4 Y4 3.8010(7) 3_646 ?
Y5 O8 2.261(3) . ?
Y5 O6 2.363(2) . ?
Y5 O6 2.363(2) 2 ?
Y5 O9 2.454(2) . ?
Y5 O9 2.454(2) 2 ?
Y5 O4 2.537(2) 1_565 ?
Y5 O4 2.537(2) 2_565 ?
Y5 O3 2.632(2) 1_565 ?
Y5 O3 2.632(2) 2_565 ?
Y5 B4 2.754(5) 1_545 ?
Y5 B1 2.912(3) 4_665 ?
Y5 B1 2.912(3) 3_566 ?
B1 O9 1.371(4) 4_566 ?
B1 O4 1.373(4) 3_556 ?
B1 O2 1.385(4) . ?
B2 O16 1.368(6) . ?
B2 O11 1.370(3) 2_655 ?
B2 O11 1.370(3) . ?
B3 O12 1.346(5) . ?
B3 O10 1.379(4) 3_556 ?
B3 O7 1.410(4) . ?
B4 O6 1.375(3) 1_565 ?
B4 O6 1.375(3) 2_565 ?
B4 O8 1.379(6) . ?
B5 O14 1.348(5) . ?
B5 O3 1.390(4) . ?
B5 O1 1.395(4) 3_656 ?
B6 O15 1.347(5) . ?
B6 O13 1.387(4) . ?
B6 O5 1.421(4) 3_656 ?

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
O12 Cs1 O10 46.24(6) 3_556 . ?
O12 Cs1 O4 98.11(6) 3_556 . ?
O10 Cs1 O4 128.76(6) . . ?
O12 Cs1 O15 116.68(6) 3_556 . ?
O10 Cs1 O15 100.31(6) . . ?
O4 Cs1 O15 59.09(6) . . ?
O12 Cs1 O13 101.86(6) 3_556 . ?
O10 Cs1 O13 62.84(6) . . ?
O4 Cs1 O13 103.30(6) . . ?
O15 Cs1 O13 45.70(6) . . ?
O12 Cs1 O9 120.70(6) 3_556 2 ?
O10 Cs1 O9 95.94(6) . 2 ?
O4 Cs1 O9 134.90(6) . 2 ?
O15 Cs1 O9 113.36(6) . 2 ?
O13 Cs1 O9 91.06(6) . 2 ?
O12 Cs1 O2 60.49(6) 3_556 3_556 ?
O10 Cs1 O2 105.31(6) . 3_556 ?
O4 Cs1 O2 45.46(6) . 3_556 ?
O15 Cs1 O2 99.54(6) . 3_556 ?
O13 Cs1 O2 132.17(6) . 3_556 ?
O9 Cs1 O2 136.71(7) 2 3_556 ?
O12 Cs1 B1 109.14(8) 3_556 3_566 ?
O10 Cs1 B1 73.93(8) . 3_566 ?
O4 Cs1 B1 152.74(8) . 3_566 ?
O15 Cs1 B1 106.46(8) . 3_566 ?
O13 Cs1 B1 71.73(8) . 3_566 ?
O9 Cs1 B1 24.46(8) 2 3_566 ?
O2 Cs1 B1 153.74(8) 3_556 3_566 ?
O12 Cs1 B1 84.35(8) 3_556 3_556 ?
O10 Cs1 B1 126.79(8) . 3_556 ?
O4 Cs1 B1 24.62(8) . 3_556 ?
O15 Cs1 B1 83.55(8) . 3_556 ?
O13 Cs1 B1 126.32(8) . 3_556 ?
O9 Cs1 B1 131.41(8) 2 3_556 ?
O2 Cs1 B1 24.54(7) 3_556 3_556 ?
B1 Cs1 B1 155.87(13) 3_566 3_556 ?
O12 Cs1 B3 23.99(8) 3_556 3_556 ?
O10 Cs1 B3 24.58(8) . 3_556 ?
O4 Cs1 B3 119.91(8) . 3_556 ?
O15 Cs1 B3 117.16(8) . 3_556 ?
O13 Cs1 B3 86.47(8) . 3_556 ?
O9 Cs1 B3 103.24(8) 2 3_556 ?
O2 Cs1 B3 84.45(8) 3_556 3_556 ?
B1 Cs1 B3 86.96(9) 3_566 3_556 ?
B1 Cs1 B3 108.32(9) 3_556 3_556 ?
O12 Cs1 B6 118.17(8) 3_556 . ?
O10 Cs1 B6 86.02(8) . . ?
O4 Cs1 B6 82.74(8) . . ?
O15 Cs1 B6 23.69(8) . . ?
O13 Cs1 B6 24.41(7) . . ?
O9 Cs1 B6 96.50(8) 2 . ?
O2 Cs1 B6 121.82(8) 3_556 . ?
B1 Cs1 B6 84.44(10) 3_566 . ?
B1 Cs1 B6 107.24(10) 3_556 . ?
B3 Cs1 B6 108.20(9) 3_556 . ?
O12 Cs1 Li1 145.19(11) 3_556 . ?
O10 Cs1 Li1 131.70(11) . . ?
O4 Cs1 Li1 54.23(11) . . ?
O15 Cs1 Li1 33.96(11) . . ?
O13 Cs1 Li1 69.78(11) . . ?
O9 Cs1 Li1 93.68(11) 2 . ?
O2 Cs1 Li1 99.19(11) 3_556 . ?
B1 Cs1 Li1 100.27(12) 3_566 . ?
B1 Cs1 Li1 75.55(12) 3_556 . ?
B3 Cs1 Li1 151.12(13) 3_556 . ?
B6 Cs1 Li1 45.84(12) . . ?
O15 Li1 O14 114.3(3) . . ?
O15 Li1 O8 139.5(3) . 1_545 ?
O14 Li1 O8 106.2(3) . 1_545 ?
O15 Li1 O6 104.9(3) . . ?
O14 Li1 O6 93.5(3) . . ?
O8 Li1 O6 73.3(2) 1_545 . ?
O15 Li1 O3 94.2(3) . . ?
O14 Li1 O3 71.3(2) . . ?
O8 Li1 O3 97.2(3) 1_545 . ?
O6 Li1 O3 159.5(3) . . ?
O15 Li1 B4 128.9(3) . 1_545 ?
O14 Li1 B4 102.6(3) . 1_545 ?
O8 Li1 B4 36.75(19) 1_545 1_545 ?
O6 Li1 B4 36.57(17) . 1_545 ?
O3 Li1 B4 131.7(3) . 1_545 ?
O15 Li1 B5 107.8(3) . . ?
O14 Li1 B5 35.31(16) . . ?
O8 Li1 B5 104.1(3) 1_545 . ?
O6 Li1 B5 127.4(3) . . ?
O3 Li1 B5 35.96(14) . . ?
B4 Li1 B5 122.4(3) 1_545 . ?
O15 Li1 B6 29.64(14) . . ?
O14 Li1 B6 105.0(3) . . ?
O8 Li1 B6 138.1(3) 1_545 . ?
O6 Li1 B6 77.6(2) . . ?
O3 Li1 B6 119.0(3) . . ?
B4 Li1 B6 108.9(3) 1_545 . ?
B5 Li1 B6 117.6(3) . . ?
O15 Li1 Y1 99.7(2) . . ?
O14 Li1 Y1 48.30(15) . . ?
O8 Li1 Y1 108.6(2) 1_545 . ?
O6 Li1 Y1 51.46(15) . . ?
O3 Li1 Y1 118.4(2) . . ?
B4 Li1 Y1 79.22(19) 1_545 . ?
B5 Li1 Y1 83.04(19) . . ?
B6 Li1 Y1 73.69(17) . . ?
O15 Li1 Y4 47.82(15) . . ?
O14 Li1 Y4 108.1(3) . . ?
O8 Li1 Y4 117.7(3) 1_545 . ?
O6 Li1 Y4 150.2(3) . . ?
O3 Li1 Y4 50.35(14) . . ?
B4 Li1 Y4 145.9(3) 1_545 . ?
B5 Li1 Y4 78.9(2) . . ?
B6 Li1 Y4 77.16(17) . . ?
Y1 Li1 Y4 133.1(2) . . ?
O15 Li1 Y5 121.2(3) . 1_545 ?
O14 Li1 Y5 101.8(2) . 1_545 ?
O8 Li1 Y5 44.65(16) 1_545 1_545 ?
O6 Li1 Y5 118.0(3) . 1_545 ?
O3 Li1 Y5 54.98(15) . 1_545 ?
B4 Li1 Y5 81.4(2) 1_545 1_545 ?
B5 Li1 Y5 76.78(18) . 1_545 ?
B6 Li1 Y5 148.0(2) . 1_545 ?
Y1 Li1 Y5 138.21(19) . 1_545 ?
Y4 Li1 Y5 78.20(14) . 1_545 ?
O15 Li1 Cs1 65.07(17) . . ?
O14 Li1 Cs1 165.0(3) . . ?
O8 Li1 Cs1 76.30(18) 1_545 . ?
O6 Li1 Cs1 72.79(18) . . ?
O3 Li1 Cs1 123.5(2) . . ?
B4 Li1 Cs1 70.19(15) 1_545 . ?
B5 Li1 Cs1 159.4(3) . . ?
B6 Li1 Cs1 66.59(14) . . ?
Y1 Li1 Cs1 116.68(18) . . ?
Y4 Li1 Cs1 82.81(13) . . ?
Y5 Li1 Cs1 90.38(15) 1_545 . ?
O12 Li2 O14 116.8(3) . 3_656 ?
O12 Li2 O16 130.6(3) . 3_656 ?
O14 Li2 O16 112.5(3) 3_656 3_656 ?
O12 Li2 O11 106.9(3) . 3_656 ?
O14 Li2 O11 93.1(3) 3_656 3_656 ?
O16 Li2 O11 73.2(2) 3_656 3_656 ?
O12 Li2 O1 95.4(3) . . ?
O14 Li2 O1 72.9(2) 3_656 . ?
O16 Li2 O1 95.4(3) 3_656 . ?
O11 Li2 O1 157.4(3) 3_656 . ?
O12 Li2 B2 123.2(3) . 3_656 ?
O14 Li2 B2 108.4(3) 3_656 3_656 ?
O16 Li2 B2 36.85(18) 3_656 3_656 ?
O11 Li2 B2 36.57(16) 3_656 3_656 ?
O1 Li2 B2 130.6(3) . 3_656 ?
O12 Li2 B5 108.2(3) . 3_656 ?
O14 Li2 B5 36.16(16) 3_656 3_656 ?
O16 Li2 B5 109.1(3) 3_656 3_656 ?
O11 Li2 B5 127.8(3) 3_656 3_656 ?
O1 Li2 B5 36.80(15) . 3_656 ?
B2 Li2 B5 128.6(3) 3_656 3_656 ?
O12 Li2 B3 30.55(15) . . ?
O14 Li2 B3 106.1(3) 3_656 . ?
O16 Li2 B3 133.1(3) 3_656 . ?
O11 Li2 B3 79.3(2) 3_656 . ?
O1 Li2 B3 121.2(3) . . ?
B2 Li2 B3 106.1(3) 3_656 . ?
B5 Li2 B3 117.7(3) 3_656 . ?
O12 Li2 Y1 102.8(2) . 3_656 ?
O14 Li2 Y1 48.68(15) 3_656 3_656 ?
O16 Li2 Y1 112.1(3) 3_656 3_656 ?
O11 Li2 Y1 50.80(14) 3_656 3_656 ?
O1 Li2 Y1 121.0(2) . 3_656 ?
B2 Li2 Y1 82.2(2) 3_656 3_656 ?
B5 Li2 Y1 84.27(19) 3_656 3_656 ?
B3 Li2 Y1 75.25(17) . 3_656 ?
O12 Li2 Y2 46.88(15) . . ?
O14 Li2 Y2 108.4(2) 3_656 . ?
O16 Li2 Y2 113.2(2) 3_656 . ?
O11 Li2 Y2 151.5(3) 3_656 . ?
O1 Li2 Y2 50.97(14) . . ?
B2 Li2 Y2 140.4(2) 3_656 . ?
B5 Li2 Y2 77.92(19) 3_656 . ?
B3 Li2 Y2 76.84(18) . . ?
Y1 Li2 Y2 134.5(2) 3_656 . ?
O12 Li2 Y3 115.0(3) . 3_556 ?
O14 Li2 Y3 104.8(2) 3_656 3_556 ?
O16 Li2 Y3 45.69(16) 3_656 3_556 ?
O11 Li2 Y3 118.8(2) 3_656 3_556 ?
O1 Li2 Y3 51.58(14) . 3_556 ?
B2 Li2 Y3 82.5(2) 3_656 3_556 ?
B5 Li2 Y3 78.31(19) 3_656 3_556 ?
B3 Li2 Y3 143.0(2) . 3_556 ?
Y1 Li2 Y3 141.7(2) 3_656 3_556 ?
Y2 Li2 Y3 74.47(13) . 3_556 ?
O12 Li2 Cs1 59.61(16) . 3_556 ?
O14 Li2 Cs1 166.4(3) 3_656 3_556 ?
O16 Li2 Cs1 73.23(16) 3_656 3_556 ?
O11 Li2 Cs1 76.55(17) 3_656 3_556 ?
O1 Li2 Cs1 119.7(2) . 3_556 ?
B2 Li2 Cs1 68.25(13) 3_656 3_556 ?
B5 Li2 Cs1 155.6(3) 3_656 3_556 ?
B3 Li2 Cs1 63.76(14) . 3_556 ?
Y1 Li2 Cs1 118.02(18) 3_656 3_556 ?
Y2 Li2 Cs1 79.00(13) . 3_556 ?
Y3 Li2 Cs1 88.00(13) 3_556 3_556 ?
O14 Y1 O11 77.62(8) . . ?
O14 Y1 O9 111.13(9) . . ?
O11 Y1 O9 78.15(9) . . ?
O14 Y1 O7 87.89(9) . 3_656 ?
O11 Y1 O7 74.98(8) . 3_656 ?
O9 Y1 O7 142.67(8) . 3_656 ?
O14 Y1 O6 77.24(8) . . ?
O11 Y1 O6 130.60(8) . . ?
O9 Y1 O6 72.42(8) . . ?
O7 Y1 O6 144.74(8) 3_656 . ?
O14 Y1 O5 90.43(8) . 3_656 ?
O11 Y1 O5 145.42(8) . 3_656 ?
O9 Y1 O5 136.06(8) . 3_656 ?
O7 Y1 O5 72.21(8) 3_656 3_656 ?
O6 Y1 O5 76.06(8) . 3_656 ?
O14 Y1 O3 152.27(8) . 1_565 ?
O11 Y1 O3 128.06(8) . 1_565 ?
O9 Y1 O3 70.45(8) . 1_565 ?
O7 Y1 O3 107.43(8) 3_656 1_565 ?
O6 Y1 O3 77.11(8) . 1_565 ?
O5 Y1 O3 73.28(8) 3_656 1_565 ?
O14 Y1 O1 148.69(8) . 3_666 ?
O11 Y1 O1 72.46(8) . 3_666 ?
O9 Y1 O1 71.72(9) . 3_666 ?
O7 Y1 O1 75.76(8) 3_656 3_666 ?
O6 Y1 O1 130.26(8) . 3_666 ?
O5 Y1 O1 109.08(8) 3_656 3_666 ?
O3 Y1 O1 59.03(8) 1_565 3_666 ?
O14 Y1 B5 176.02(9) . 1_565 ?
O11 Y1 B5 99.58(9) . 1_565 ?
O9 Y1 B5 65.31(10) . 1_565 ?
O7 Y1 B5 94.15(10) 3_656 1_565 ?
O6 Y1 B5 102.82(9) . 1_565 ?
O5 Y1 B5 93.45(9) 3_656 1_565 ?
O3 Y1 B5 29.56(8) 1_565 1_565 ?
O1 Y1 B5 29.71(8) 3_666 1_565 ?
O14 Y1 Li2 39.52(12) . 3_656 ?
O11 Y1 Li2 42.93(12) . 3_656 ?
O9 Y1 Li2 109.97(13) . 3_656 ?
O7 Y1 Li2 64.56(13) 3_656 3_656 ?
O6 Y1 Li2 114.68(12) . 3_656 ?
O5 Y1 Li2 110.67(12) 3_656 3_656 ?
O3 Y1 Li2 168.01(12) 1_565 3_656 ?
O1 Y1 Li2 109.31(12) 3_666 3_656 ?
B5 Y1 Li2 138.98(13) 1_565 3_656 ?
O14 Y1 Li1 40.04(12) . . ?
O11 Y1 Li1 115.36(12) . . ?
O9 Y1 Li1 105.12(14) . . ?
O7 Y1 Li1 109.59(13) 3_656 . ?
O6 Y1 Li1 41.84(13) . . ?
O5 Y1 Li1 67.16(12) 3_656 . ?
O3 Y1 Li1 112.23(12) 1_565 . ?
O1 Y1 Li1 171.19(12) 3_666 . ?
B5 Y1 Li1 141.48(13) 1_565 . ?
Li2 Y1 Li1 79.48(16) 3_656 . ?
O14 Y1 Y5 113.80(6) . . ?
O11 Y1 Y5 120.91(6) . . ?
O9 Y1 Y5 42.98(6) . . ?
O7 Y1 Y5 154.61(6) 3_656 . ?
O6 Y1 Y5 40.82(6) . . ?
O5 Y1 Y5 93.65(6) 3_656 . ?
O3 Y1 Y5 47.39(6) 1_565 . ?
O1 Y1 Y5 89.82(6) 3_666 . ?
B5 Y1 Y5 65.08(8) 1_565 . ?
Li2 Y1 Y5 140.78(12) 3_656 . ?
Li1 Y1 Y5 82.60(12) . . ?
O10 Y2 O13 93.76(9) . . ?
O10 Y2 O12 88.11(9) . . ?
O13 Y2 O12 87.04(8) . . ?
O10 Y2 O2 99.14(9) . . ?
O13 Y2 O2 165.70(9) . . ?
O12 Y2 O2 87.22(8) . . ?
O10 Y2 O10 72.55(10) . 3_566 ?
O13 Y2 O10 103.52(8) . 3_566 ?
O12 Y2 O10 158.33(8) . 3_566 ?
O2 Y2 O10 86.34(8) . 3_566 ?
O10 Y2 O1 166.17(8) . . ?
O13 Y2 O1 89.97(9) . . ?
O12 Y2 O1 78.78(8) . . ?
O2 Y2 O1 76.06(8) . . ?
O10 Y2 O1 119.46(8) 3_566 . ?
O10 Y2 O7 120.04(8) . 1_565 ?
O13 Y2 O7 71.99(8) . 1_565 ?
O12 Y2 O7 145.11(8) . 1_565 ?
O2 Y2 O7 106.25(8) . 1_565 ?
O10 Y2 O7 56.44(8) 3_566 1_565 ?
O1 Y2 O7 73.77(8) . 1_565 ?
O10 Y2 B3 99.06(10) . 1_565 ?
O13 Y2 B3 92.50(9) . 1_565 ?
O12 Y2 B3 172.83(10) . 1_565 ?
O2 Y2 B3 91.56(9) . 1_565 ?
O10 Y2 B3 28.25(9) 3_566 1_565 ?
O1 Y2 B3 94.07(10) . 1_565 ?
O7 Y2 B3 29.23(8) 1_565 1_565 ?
O10 Y2 Li2 122.95(13) . . ?
O13 Y2 Li2 97.13(12) . . ?
O12 Y2 Li2 37.30(13) . . ?
O2 Y2 Li2 70.64(12) . . ?
O10 Y2 Li2 153.43(13) 3_566 . ?
O1 Y2 Li2 43.27(12) . . ?
O7 Y2 Li2 116.60(12) 1_565 . ?
B3 Y2 Li2 135.89(14) 1_565 . ?
O10 Y2 Y2 37.71(6) . 3_566 ?
O13 Y2 Y2 100.91(7) . 3_566 ?
O12 Y2 Y2 125.18(6) . 3_566 ?
O2 Y2 Y2 93.10(6) . 3_566 ?
O10 Y2 Y2 34.84(6) 3_566 3_566 ?
O1 Y2 Y2 153.74(6) . 3_566 ?
O7 Y2 Y2 86.86(5) 1_565 3_566 ?
B3 Y2 Y2 61.93(8) 1_565 3_566 ?
Li2 Y2 Y2 154.05(10) . 3_566 ?
O10 Y2 Y4 102.83(6) . 1_565 ?
O13 Y2 Y4 36.27(6) . 1_565 ?
O12 Y2 Y4 122.02(6) . 1_565 ?
O2 Y2 Y4 143.51(6) . 1_565 ?
O10 Y2 Y4 73.15(6) 3_566 1_565 ?
O1 Y2 Y4 88.00(5) . 1_565 ?
O7 Y2 Y4 37.27(5) 1_565 1_565 ?
B3 Y2 Y4 56.56(7) 1_565 1_565 ?
Li2 Y2 Y4 118.23(10) . 1_565 ?
Y2 Y2 Y4 86.968(12) 3_566 1_565 ?
O10 Y2 Y3 135.76(6) . 3_556 ?
O13 Y2 Y3 129.84(7) . 3_556 ?
O12 Y2 Y3 87.24(6) . 3_556 ?
O2 Y2 Y3 36.70(6) . 3_556 ?
O10 Y2 Y3 99.69(6) 3_566 3_556 ?
O1 Y2 Y3 40.15(5) . 3_556 ?
O7 Y2 Y3 85.51(5) 1_565 3_556 ?
B3 Y2 Y3 87.57(8) 1_565 3_556 ?
Li2 Y2 Y3 53.85(11) . 3_556 ?
Y2 Y2 Y3 122.476(13) 3_566 3_556 ?
Y4 Y2 Y3 116.706(11) 1_565 3_556 ?
O16 Y3 O11 150.19(5) 1_455 2_545 ?
O16 Y3 O11 150.19(5) 1_455 1_445 ?
O11 Y3 O11 59.61(11) 2_545 1_445 ?
O16 Y3 O2 84.93(6) 1_455 3_556 ?
O11 Y3 O2 104.61(8) 2_545 3_556 ?
O11 Y3 O2 84.33(8) 1_445 3_556 ?
O16 Y3 O2 84.93(6) 1_455 4 ?
O11 Y3 O2 84.33(8) 2_545 4 ?
O11 Y3 O2 104.61(8) 1_445 4 ?
O2 Y3 O2 169.86(12) 3_556 4 ?
O16 Y3 O1 78.60(5) 1_455 3_556 ?
O11 Y3 O1 131.05(8) 2_545 3_556 ?
O11 Y3 O1 71.72(7) 1_445 3_556 ?
O2 Y3 O1 73.84(8) 3_556 3_556 ?
O2 Y3 O1 104.08(8) 4 3_556 ?
O16 Y3 O1 78.60(5) 1_455 4 ?
O11 Y3 O1 71.72(7) 2_545 4 ?
O11 Y3 O1 131.05(8) 1_445 4 ?
O2 Y3 O1 104.08(8) 3_556 4 ?
O2 Y3 O1 73.84(8) 4 4 ?
O1 Y3 O1 157.20(11) 3_556 4 ?
O16 Y3 B2 180.0 1_455 1_445 ?
O11 Y3 B2 29.81(5) 2_545 1_445 ?
O11 Y3 B2 29.81(5) 1_445 1_445 ?
O2 Y3 B2 95.07(6) 3_556 1_445 ?
O2 Y3 B2 95.07(6) 4 1_445 ?
O1 Y3 B2 101.40(5) 3_556 1_445 ?
O1 Y3 B2 101.40(5) 4 1_445 ?
O16 Y3 B1 90.52(7) 1_455 4 ?
O11 Y3 B1 91.60(9) 2_545 4 ?
O11 Y3 B1 87.49(9) 1_445 4 ?
O2 Y3 B1 154.72(9) 3_556 4 ?
O2 Y3 B1 25.49(9) 4 4 ?
O1 Y3 B1 80.88(9) 3_556 4 ?
O1 Y3 B1 99.33(9) 4 4 ?
B2 Y3 B1 89.48(7) 1_445 4 ?
O16 Y3 B1 90.52(7) 1_455 3_556 ?
O11 Y3 B1 87.49(9) 2_545 3_556 ?
O11 Y3 B1 91.60(9) 1_445 3_556 ?
O2 Y3 B1 25.49(9) 3_556 3_556 ?
O2 Y3 B1 154.72(9) 4 3_556 ?
O1 Y3 B1 99.33(9) 3_556 3_556 ?
O1 Y3 B1 80.88(9) 4 3_556 ?
B2 Y3 B1 89.48(7) 1_445 3_556 ?
B1 Y3 B1 178.95(14) 4 3_556 ?
O16 Y3 Li2 38.18(10) 1_455 3_556 ?
O11 Y3 Li2 170.55(12) 2_545 3_556 ?
O11 Y3 Li2 112.19(12) 1_445 3_556 ?
O2 Y3 Li2 68.60(12) 3_556 3_556 ?
O2 Y3 Li2 103.06(12) 4 3_556 ?
O1 Y3 Li2 41.81(12) 3_556 3_556 ?
O1 Y3 Li2 115.76(11) 4 3_556 ?
B2 Y3 Li2 141.82(10) 1_445 3_556 ?
B1 Y3 Li2 92.74(13) 4 3_556 ?
B1 Y3 Li2 88.08(13) 3_556 3_556 ?
O16 Y3 Li2 38.18(10) 1_455 4 ?
O11 Y3 Li2 112.19(12) 2_545 4 ?
O11 Y3 Li2 170.55(12) 1_445 4 ?
O2 Y3 Li2 103.06(13) 3_556 4 ?
O2 Y3 Li2 68.60(12) 4 4 ?
O1 Y3 Li2 115.76(11) 3_556 4 ?
O1 Y3 Li2 41.81(12) 4 4 ?
B2 Y3 Li2 141.82(10) 1_445 4 ?
B1 Y3 Li2 88.08(13) 4 4 ?
B1 Y3 Li2 92.74(13) 3_556 4 ?
Li2 Y3 Li2 76.4(2) 3_556 4 ?
O15 Y4 O4 84.98(9) . . ?
O15 Y4 O7 88.88(8) . . ?
O4 Y4 O7 109.73(8) . . ?
O15 Y4 O5 88.77(9) . . ?
O4 Y4 O5 172.55(8) . . ?
O7 Y4 O5 74.12(8) . . ?
O15 Y4 O13 156.17(8) . 1_545 ?
O4 Y4 O13 85.14(9) . 1_545 ?
O7 Y4 O13 74.20(8) . 1_545 ?
O5 Y4 O13 102.16(8) . 1_545 ?
O15 Y4 O3 80.24(8) . . ?
O4 Y4 O3 76.51(8) . . ?
O7 Y4 O3 167.04(8) . . ?
O5 Y4 O3 98.45(8) . . ?
O13 Y4 O3 118.22(8) 1_545 . ?
O15 Y4 O5 145.93(8) . 3_646 ?
O4 Y4 O5 108.26(8) . 3_646 ?
O7 Y4 O5 114.13(8) . 3_646 ?
O5 Y4 O5 74.98(9) . 3_646 ?
O13 Y4 O5 57.90(7) 1_545 3_646 ?
O3 Y4 O5 73.01(7) . 3_646 ?
O15 Y4 B6 173.77(9) . 1_545 ?
O4 Y4 B6 93.14(10) . 1_545 ?
O7 Y4 B6 97.34(9) . 1_545 ?
O5 Y4 B6 92.65(10) . 1_545 ?
O13 Y4 B6 28.77(8) 1_545 1_545 ?
O3 Y4 B6 93.55(9) . 1_545 ?
O5 Y4 B6 29.78(8) 3_646 1_545 ?
O15 Y4 Li1 38.96(13) . . ?
O4 Y4 Li1 66.03(13) . . ?
O7 Y4 Li1 126.72(12) . . ?
O5 Y4 Li1 106.53(13) . . ?
O13 Y4 Li1 148.23(13) 1_545 . ?
O3 Y4 Li1 44.38(12) . . ?
O5 Y4 Li1 117.31(12) 3_646 . ?
B6 Y4 Li1 135.01(13) 1_545 . ?
O15 Y4 Y2 124.19(6) . 1_545 ?
O4 Y4 Y2 90.01(6) . 1_545 ?
O7 Y4 Y2 41.54(6) . 1_545 ?
O5 Y4 Y2 96.86(5) . 1_545 ?
O13 Y4 Y2 34.26(5) 1_545 1_545 ?
O3 Y4 Y2 151.39(6) . 1_545 ?
O5 Y4 Y2 87.92(5) 3_646 1_545 ?
B6 Y4 Y2 61.66(7) 1_545 1_545 ?
Li1 Y4 Y2 149.01(11) . 1_545 ?
O15 Y4 Y1 95.27(6) . 3_656 ?
O4 Y4 Y1 146.51(6) . 3_656 ?
O7 Y4 Y1 36.96(6) . 3_656 ?
O5 Y4 Y1 38.20(5) . 3_656 ?
O13 Y4 Y1 81.37(6) 1_545 3_656 ?
O3 Y4 Y1 136.65(6) . 3_656 ?
O5 Y4 Y1 90.12(6) 3_646 3_656 ?
B6 Y4 Y1 89.58(8) 1_545 3_656 ?
Li1 Y4 Y1 130.15(12) . 3_656 ?
Y2 Y4 Y1 62.210(9) 1_545 3_656 ?
O15 Y4 Y4 121.55(6) . 3_646 ?
O4 Y4 Y4 144.12(6) . 3_646 ?
O7 Y4 Y4 95.57(6) . 3_646 ?
O5 Y4 Y4 38.71(6) . 3_646 ?
O13 Y4 Y4 77.58(6) 1_545 3_646 ?
O3 Y4 Y4 84.31(6) . 3_646 ?
O5 Y4 Y4 36.28(6) 3_646 3_646 ?
B6 Y4 Y4 57.75(8) 1_545 3_646 ?
Li1 Y4 Y4 118.12(11) . 3_646 ?
Y2 Y4 Y4 92.850(12) 1_545 3_646 ?
Y1 Y4 Y4 61.314(10) 3_656 3_646 ?
O8 Y5 O6 150.05(6) . . ?
O8 Y5 O6 150.06(6) . 2 ?
O6 Y5 O6 59.89(11) . 2 ?
O8 Y5 O9 103.43(6) . . ?
O6 Y5 O9 70.32(8) . . ?
O6 Y5 O9 86.23(8) 2 . ?
O8 Y5 O9 103.44(6) . 2 ?
O6 Y5 O9 86.23(8) . 2 ?
O6 Y5 O9 70.31(8) 2 2 ?
O9 Y5 O9 153.13(12) . 2 ?
O8 Y5 O4 81.02(6) . 1_565 ?
O6 Y5 O4 81.43(7) . 1_565 ?
O6 Y5 O4 114.80(8) 2 1_565 ?
O9 Y5 O4 129.45(8) . 1_565 ?
O9 Y5 O4 55.74(8) 2 1_565 ?
O8 Y5 O4 81.02(6) . 2_565 ?
O6 Y5 O4 114.80(8) . 2_565 ?
O6 Y5 O4 81.43(7) 2 2_565 ?
O9 Y5 O4 55.74(8) . 2_565 ?
O9 Y5 O4 129.45(8) 2 2_565 ?
O4 Y5 O4 162.05(11) 1_565 2_565 ?
O8 Y5 O3 78.17(5) . 1_565 ?
O6 Y5 O3 72.70(7) . 1_565 ?
O6 Y5 O3 130.75(8) 2 1_565 ?
O9 Y5 O3 64.89(7) . 1_565 ?
O9 Y5 O3 121.31(7) 2 1_565 ?
O4 Y5 O3 67.09(7) 1_565 1_565 ?
O4 Y5 O3 108.98(7) 2_565 1_565 ?
O8 Y5 O3 78.17(5) . 2_565 ?
O6 Y5 O3 130.75(8) . 2_565 ?
O6 Y5 O3 72.70(7) 2 2_565 ?
O9 Y5 O3 121.31(7) . 2_565 ?
O9 Y5 O3 64.89(7) 2 2_565 ?
O4 Y5 O3 108.98(7) 1_565 2_565 ?
O4 Y5 O3 67.09(7) 2_565 2_565 ?
O3 Y5 O3 156.33(10) 1_565 2_565 ?
O8 Y5 B4 180.0 . 1_545 ?
O6 Y5 B4 29.95(6) . 1_545 ?
O6 Y5 B4 29.94(6) 2 1_545 ?
O9 Y5 B4 76.57(6) . 1_545 ?
O9 Y5 B4 76.56(6) 2 1_545 ?
O4 Y5 B4 98.98(6) 1_565 1_545 ?
O4 Y5 B4 98.98(6) 2_565 1_545 ?
O3 Y5 B4 101.83(5) 1_565 1_545 ?
O3 Y5 B4 101.83(5) 2_565 1_545 ?
O8 Y5 B1 89.47(8) . 4_665 ?
O6 Y5 B1 94.57(9) . 4_665 ?
O6 Y5 B1 86.35(9) 2 4_665 ?
O9 Y5 B1 27.98(9) . 4_665 ?
O9 Y5 B1 152.55(10) 2 4_665 ?
O4 Y5 B1 151.53(9) 1_565 4_665 ?
O4 Y5 B1 28.13(9) 2_565 4_665 ?
O3 Y5 B1 84.75(9) 1_565 4_665 ?
O3 Y5 B1 95.04(9) 2_565 4_665 ?
B4 Y5 B1 90.53(8) 1_545 4_665 ?
O8 Y5 B1 89.47(8) . 3_566 ?
O6 Y5 B1 86.35(9) . 3_566 ?
O6 Y5 B1 94.57(9) 2 3_566 ?
O9 Y5 B1 152.55(10) . 3_566 ?
O9 Y5 B1 27.98(9) 2 3_566 ?
O4 Y5 B1 28.13(9) 1_565 3_566 ?
O4 Y5 B1 151.53(9) 2_565 3_566 ?
O3 Y5 B1 95.04(9) 1_565 3_566 ?
O3 Y5 B1 84.75(9) 2_565 3_566 ?
B4 Y5 B1 90.53(8) 1_545 3_566 ?
B1 Y5 B1 178.94(15) 4_665 3_566 ?
O9 B1 O4 116.6(3) 4_566 3_556 ?
O9 B1 O2 118.6(3) 4_566 . ?
O4 B1 O2 124.8(3) 3_556 . ?
O9 B1 Y5 57.10(16) 4_566 3_566 ?
O4 B1 Y5 60.58(16) 3_556 3_566 ?
O2 B1 Y5 166.6(3) . 3_566 ?
O9 B1 Y3 72.94(19) 4_566 3_556 ?
O4 B1 Y3 163.6(2) 3_556 3_556 ?
O2 B1 Y3 47.05(16) . 3_556 ?
Y5 B1 Y3 123.92(13) 3_566 3_556 ?
O9 B1 Cs1 76.31(19) 4_566 3_566 ?
O4 B1 Cs1 100.4(2) 3_556 3_566 ?
O2 B1 Cs1 94.5(2) . 3_566 ?
Y5 B1 Cs1 96.44(10) 3_566 3_566 ?
Y3 B1 Cs1 94.81(10) 3_556 3_566 ?
O9 B1 Cs1 127.8(2) 4_566 3_556 ?
O4 B1 Cs1 69.87(18) 3_556 3_556 ?
O2 B1 Cs1 75.22(19) . 3_556 ?
Y5 B1 Cs1 97.41(10) 3_566 3_556 ?
Y3 B1 Cs1 93.74(10) 3_556 3_556 ?
Cs1 B1 Cs1 155.87(13) 3_566 3_556 ?
O16 B2 O11 121.6(2) . 2_655 ?
O16 B2 O11 121.6(2) . . ?
O11 B2 O11 116.8(4) 2_655 . ?
O16 B2 Li2 59.29(19) . 4_655 ?
O11 B2 Li2 62.78(19) 2_655 4_655 ?
O11 B2 Li2 173.18(18) . 4_655 ?
O16 B2 Li2 59.29(19) . 3_656 ?
O11 B2 Li2 173.18(18) 2_655 3_656 ?
O11 B2 Li2 62.78(19) . 3_656 ?
Li2 B2 Li2 118.6(4) 4_655 3_656 ?
O16 B2 Y3 180.0 . 1_665 ?
O11 B2 Y3 58.4(2) 2_655 1_665 ?
O11 B2 Y3 58.4(2) . 1_665 ?
Li2 B2 Y3 120.71(19) 4_655 1_665 ?
Li2 B2 Y3 120.71(19) 3_656 1_665 ?
O16 B2 Cs1 82.34(9) . 2 ?
O11 B2 Cs1 88.30(10) 2_655 2 ?
O11 B2 Cs1 99.75(11) . 2 ?
Li2 B2 Cs1 73.50(15) 4_655 2 ?
Li2 B2 Cs1 98.51(17) 3_656 2 ?
Y3 B2 Cs1 97.66(9) 1_665 2 ?
O16 B2 Cs1 82.34(9) . 1_655 ?
O11 B2 Cs1 99.75(11) 2_655 1_655 ?
O11 B2 Cs1 88.30(10) . 1_655 ?
Li2 B2 Cs1 98.51(17) 4_655 1_655 ?
Li2 B2 Cs1 73.50(15) 3_656 1_655 ?
Y3 B2 Cs1 97.66(9) 1_665 1_655 ?
Cs1 B2 Cs1 164.69(18) 2 1_655 ?
O12 B3 O10 124.0(3) . 3_556 ?
O12 B3 O7 123.6(3) . . ?
O10 B3 O7 112.2(3) 3_556 . ?
O12 B3 Li2 44.9(2) . . ?
O10 B3 Li2 139.0(3) 3_556 . ?
O7 B3 Li2 89.2(2) . . ?
O12 B3 Y2 159.3(2) . 1_545 ?
O10 B3 Y2 54.15(17) 3_556 1_545 ?
O7 B3 Y2 60.94(17) . 1_545 ?
Li2 B3 Y2 120.2(2) . 1_545 ?
O12 B3 Cs1 66.40(16) . 3_556 ?
O10 B3 Cs1 68.78(16) 3_556 3_556 ?
O7 B3 Cs1 139.0(2) . 3_556 ?
Li2 B3 Cs1 72.26(15) . 3_556 ?
Y2 B3 Cs1 96.84(10) 1_545 3_556 ?
O6 B4 O6 118.2(4) 1_565 2_565 ?
O6 B4 O8 120.9(2) 1_565 . ?
O6 B4 O8 120.9(2) 2_565 . ?
O6 B4 Li1 178.5(3) 1_565 2_565 ?
O6 B4 Li1 60.8(2) 2_565 2_565 ?
O8 B4 Li1 60.16(19) . 2_565 ?
O6 B4 Li1 60.77(19) 1_565 1_565 ?
O6 B4 Li1 178.5(3) 2_565 1_565 ?
O8 B4 Li1 60.16(19) . 1_565 ?
Li1 B4 Li1 120.3(4) 2_565 1_565 ?
O6 B4 Y5 59.1(2) 1_565 1_565 ?
O6 B4 Y5 59.1(2) 2_565 1_565 ?
O8 B4 Y5 180.0 . 1_565 ?
Li1 B4 Y5 119.84(19) 2_565 1_565 ?
Li1 B4 Y5 119.84(19) 1_565 1_565 ?
O6 B4 Cs1 78.45(9) 1_565 1_565 ?
O6 B4 Cs1 108.78(10) 2_565 1_565 ?
O8 B4 Cs1 83.20(9) . 1_565 ?
Li1 B4 Cs1 102.78(16) 2_565 1_565 ?
Li1 B4 Cs1 70.18(14) 1_565 1_565 ?
Y5 B4 Cs1 96.80(9) 1_565 1_565 ?
O6 B4 Cs1 108.78(10) 1_565 2_565 ?
O6 B4 Cs1 78.45(9) 2_565 2_565 ?
O8 B4 Cs1 83.20(9) . 2_565 ?
Li1 B4 Cs1 70.18(14) 2_565 2_565 ?
Li1 B4 Cs1 102.78(16) 1_565 2_565 ?
Y5 B4 Cs1 96.80(9) 1_565 2_565 ?
Cs1 B4 Cs1 166.41(18) 1_565 2_565 ?
O14 B5 O3 120.3(3) . . ?
O14 B5 O1 121.2(3) . 3_656 ?
O3 B5 O1 118.4(3) . 3_656 ?
O14 B5 Li2 56.6(2) . 3_656 ?
O3 B5 Li2 174.8(3) . 3_656 ?
O1 B5 Li2 64.8(2) 3_656 3_656 ?
O14 B5 Li1 56.3(2) . . ?
O3 B5 Li1 64.1(2) . . ?
O1 B5 Li1 177.2(3) 3_656 . ?
Li2 B5 Li1 112.8(3) 3_656 . ?
O14 B5 Y1 171.2(3) . 1_545 ?
O3 B5 Y1 58.48(17) . 1_545 ?
O1 B5 Y1 60.69(17) 3_656 1_545 ?
Li2 B5 Y1 125.3(2) 3_656 1_545 ?
Li1 B5 Y1 121.5(2) . 1_545 ?
O15 B6 O13 124.1(3) . . ?
O15 B6 O5 123.6(3) . 3_656 ?
O13 B6 O5 112.0(3) . 3_656 ?
O15 B6 Li1 44.5(2) . . ?
O13 B6 Li1 134.1(3) . . ?
O5 B6 Li1 92.5(2) 3_656 . ?
O15 B6 Y4 162.9(3) . 1_565 ?
O13 B6 Y4 54.41(16) . 1_565 ?
O5 B6 Y4 59.33(16) 3_656 1_565 ?
Li1 B6 Y4 121.78(19) . 1_565 ?
O15 B6 Cs1 67.61(19) . . ?
O13 B6 Cs1 68.38(18) . . ?
O5 B6 Cs1 137.5(2) 3_656 . ?
Li1 B6 Cs1 67.57(16) . . ?
Y4 B6 Cs1 98.71(11) 1_565 . ?
B5 O1 Li2 78.4(2) 3_656 . ?
B5 O1 Y2 127.2(2) 3_656 . ?
Li2 O1 Y2 85.76(19) . . ?
B5 O1 Y1 89.60(19) 3_656 3_666 ?
Li2 O1 Y1 167.0(2) . 3_666 ?
Y2 O1 Y1 105.68(9) . 3_666 ?
B5 O1 Y3 127.1(2) 3_656 3_556 ?
Li2 O1 Y3 86.61(17) . 3_556 ?
Y2 O1 Y3 101.41(8) . 3_556 ?
Y1 O1 Y3 96.88(8) 3_666 3_556 ?
B1 O2 Y2 143.7(2) . . ?
B1 O2 Y3 107.5(2) . 3_556 ?
Y2 O2 Y3 107.14(9) . 3_556 ?
B1 O2 Cs1 80.24(19) . 3_556 ?
Y2 O2 Cs1 97.05(8) . 3_556 ?
Y3 O2 Cs1 111.62(9) 3_556 3_556 ?
B1 O2 Cs1 63.21(18) . 3_566 ?
Y2 O2 Cs1 100.10(8) . 3_566 ?
Y3 O2 Cs1 99.86(8) 3_556 3_566 ?
Cs1 O2 Cs1 137.58(7) 3_556 3_566 ?
B5 O3 Li1 80.0(2) . . ?
B5 O3 Y4 133.5(2) . . ?
Li1 O3 Y4 85.27(16) . . ?
B5 O3 Y1 91.95(19) . 1_545 ?
Li1 O3 Y1 166.24(19) . 1_545 ?
Y4 O3 Y1 108.24(9) . 1_545 ?
B5 O3 Y5 117.4(2) . 1_545 ?
Li1 O3 Y5 83.55(19) . 1_545 ?
Y4 O3 Y5 104.17(8) . 1_545 ?
Y1 O3 Y5 90.43(8) 1_545 1_545 ?
B1 O4 Y4 151.6(2) 3_556 . ?
B1 O4 Y5 91.29(19) 3_556 1_545 ?
Y4 O4 Y5 109.48(9) . 1_545 ?
B1 O4 Cs1 85.52(19) 3_556 . ?
Y4 O4 Cs1 103.58(9) . . ?
Y5 O4 Cs1 111.40(9) 1_545 . ?
B1 O4 Cs1 58.50(18) 3_556 1_545 ?
Y4 O4 Cs1 100.44(8) . 1_545 ?
Y5 O4 Cs1 92.01(7) 1_545 1_545 ?
Cs1 O4 Cs1 137.91(7) . 1_545 ?
B6 O5 Y4 122.8(2) 3_656 . ?
B6 O5 Y1 123.8(2) 3_656 3_656 ?
Y4 O5 Y1 104.76(8) . 3_656 ?
B6 O5 Y4 90.90(19) 3_656 3_646 ?
Y4 O5 Y4 105.01(9) . 3_646 ?
Y1 O5 Y4 104.82(9) 3_656 3_646 ?
B4 O6 Li1 82.7(3) 1_545 . ?
B4 O6 Y1 131.19(13) 1_545 . ?
Li1 O6 Y1 86.71(19) . . ?
B4 O6 Y5 91.0(2) 1_545 . ?
Li1 O6 Y5 173.5(2) . . ?
Y1 O6 Y5 98.39(8) . . ?
B4 O6 Cs1 78.07(10) 1_545 . ?
Li1 O6 Cs1 72.53(17) . . ?
Y1 O6 Cs1 142.21(9) . . ?
Y5 O6 Cs1 105.13(7) . . ?
B3 O7 Y4 118.4(2) . . ?
B3 O7 Y1 128.5(2) . 3_656 ?
Y4 O7 Y1 106.86(8) . 3_656 ?
B3 O7 Y2 89.83(19) . 1_545 ?
Y4 O7 Y2 101.19(8) . 1_545 ?
Y1 O7 Y2 104.72(9) 3_656 1_545 ?
B4 O8 Li1 83.1(2) . 1_565 ?
B4 O8 Li1 83.1(2) . 2_565 ?
Li1 O8 Li1 166.2(4) 1_565 2_565 ?
B4 O8 Y5 180.0 . . ?
Li1 O8 Y5 96.9(2) 1_565 . ?
Li1 O8 Y5 96.9(2) 2_565 . ?
B4 O8 Cs1 73.71(5) . 1_565 ?
Li1 O8 Cs1 69.90(16) 1_565 1_565 ?
Li1 O8 Cs1 106.03(16) 2_565 1_565 ?
Y5 O8 Cs1 106.29(5) . 1_565 ?
B4 O8 Cs1 73.71(5) . 2_565 ?
Li1 O8 Cs1 106.03(16) 1_565 2_565 ?
Li1 O8 Cs1 69.90(16) 2_565 2_565 ?
Y5 O8 Cs1 106.29(5) . 2_565 ?
Cs1 O8 Cs1 147.42(11) 1_565 2_565 ?
B1 O9 Y1 168.0(2) 4_665 . ?
B1 O9 Y5 94.9(2) 4_665 . ?
Y1 O9 Y5 96.57(8) . . ?
B1 O9 Cs1 79.22(19) 4_665 2 ?
Y1 O9 Cs1 100.55(9) . 2 ?
Y5 O9 Cs1 107.74(9) . 2 ?
B3 O10 Y2 147.5(2) 3_556 . ?
B3 O10 Y2 97.6(2) 3_556 3_566 ?
Y2 O10 Y2 107.45(10) . 3_566 ?
B3 O10 Cs1 86.64(18) 3_556 . ?
Y2 O10 Cs1 100.03(8) . . ?
Y2 O10 Cs1 116.18(9) 3_566 . ?
B2 O11 Li2 80.6(3) . 3_656 ?
B2 O11 Y1 141.40(17) . . ?
Li2 O11 Y1 86.28(17) 3_656 . ?
B2 O11 Y3 91.8(2) . 1_665 ?
Li2 O11 Y3 169.29(19) 3_656 1_665 ?
Y1 O11 Y3 104.29(9) . 1_665 ?
B2 O11 Cs1 69.55(10) . 1_655 ?
Li2 O11 Cs1 70.24(17) 3_656 1_655 ?
Y1 O11 Cs1 138.31(9) . 1_655 ?
Y3 O11 Cs1 100.06(7) 1_665 1_655 ?
B3 O12 Li2 104.6(3) . . ?
B3 O12 Y2 155.7(2) . . ?
Li2 O12 Y2 95.8(2) . . ?
B3 O12 Cs1 89.60(18) . 3_556 ?
Li2 O12 Cs1 88.30(18) . 3_556 ?
Y2 O12 Cs1 104.34(8) . 3_556 ?
B6 O13 Y2 145.4(2) . . ?
B6 O13 Y4 96.82(19) . 1_565 ?
Y2 O13 Y4 109.46(9) . 1_565 ?
B6 O13 Cs1 87.22(19) . . ?
Y2 O13 Cs1 98.61(8) . . ?
Y4 O13 Cs1 119.07(9) 1_565 . ?
B5 O14 Li2 87.2(3) . 3_656 ?
B5 O14 Li1 88.4(3) . . ?
Li2 O14 Li1 174.2(3) 3_656 . ?
B5 O14 Y1 167.8(2) . . ?
Li2 O14 Y1 91.8(2) 3_656 . ?
Li1 O14 Y1 91.7(2) . . ?
B6 O15 Li1 105.8(3) . . ?
B6 O15 Y4 158.7(2) . . ?
Li1 O15 Y4 93.2(2) . . ?
B6 O15 Cs1 88.7(2) . . ?
Li1 O15 Cs1 81.0(2) . . ?
Y4 O15 Cs1 103.91(8) . . ?
B2 O16 Li2 83.87(19) . 3_656 ?
B2 O16 Li2 83.87(19) . 4_655 ?
Li2 O16 Li2 167.7(4) 3_656 4_655 ?
B2 O16 Y3 180.0 . 1_655 ?
Li2 O16 Y3 96.13(19) 3_656 1_655 ?
Li2 O16 Y3 96.13(19) 4_655 1_655 ?
B2 O16 Cs1 74.83(5) . 1_655 ?
Li2 O16 Cs1 74.27(17) 3_656 1_655 ?
Li2 O16 Cs1 102.43(18) 4_655 1_655 ?
Y3 O16 Cs1 105.17(5) 1_655 1_655 ?
B2 O16 Cs1 74.83(5) . 2 ?
Li2 O16 Cs1 102.43(18) 3_656 2 ?
Li2 O16 Cs1 74.27(17) 4_655 2 ?
Y3 O16 Cs1 105.17(5) 1_655 2 ?
Cs1 O16 Cs1 149.65(10) 1_655 2 ?

_refine_diff_density_max         0.712
_refine_diff_density_min         -0.803
_refine_diff_density_rms         0.163

####################################################################### 
# 
# 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_2_a
_database_code_depnum_ccdc_archive 'CCDC 2130796'
loop_
_audit_author_name
_audit_author_address
Tianjin
;Tianjin
China
;
_audit_update_record             
;
2021-12-24 deposited with the CCDC.	2022-03-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'B2 Li O6 Rb2 Y'
_chemical_formula_weight         384.41

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 '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'
Rb Rb -0.9393 2.9676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           57
_space_group_name_H-M_alt        'P b c m'
_space_group_name_Hall           '-P 2c 2b'

_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, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x, -y+1/2, -z'
'-x, -y, -z'
'x, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x, y-1/2, z'

_cell_length_a                   6.962(2)
_cell_length_b                   9.556(3)
_cell_length_c                   9.995(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     665.0(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    1061
_cell_measurement_theta_min      2.93
_cell_measurement_theta_max      27.39

_exptl_crystal_description       bulk
_exptl_crystal_colour            lucency
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.840
_exptl_crystal_F_000             696
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    23.286
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            2746
_diffrn_reflns_av_unetI/netI     0.0491
_diffrn_reflns_av_R_equivalents  0.0492
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         2.926
_diffrn_reflns_theta_max         27.494
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measured_fraction_theta_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_point_group_measured_fraction_full 0.987
_reflns_number_total             733
_reflns_number_gt                542
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0492P)²+3.4639P] 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     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         733
_refine_ls_number_parameters     65
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0677
_refine_ls_R_factor_gt           0.0410
_refine_ls_wR_factor_ref         0.1033
_refine_ls_wR_factor_gt          0.0911
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_restrained_S_all      1.072
_refine_ls_shift/su_max          0.000
_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
Rb1 Rb 0.77921(13) 0.41407(8) 0.44534(10) 0.0256(3) Uani 1 1 d . . . . .
Li1 Li 0.049(3) 0.6492(19) 0.250000 0.021(5) Uani 1 2 d S T P . .
Y1 Y 0.63694(15) 0.75898(10) 0.250000 0.0142(3) Uani 1 2 d S T P . .
B1 B 0.3501(16) 0.5566(12) 0.250000 0.008(2) Uani 1 2 d S T P . .
B2 B 0.7993(18) 0.750000 0.500000 0.017(3) Uani 1 2 d S T P . .
O1 O 0.3196(11) 0.7011(7) 0.250000 0.0189(19) Uani 1 2 d S T P . .
O2 O 0.5345(11) 0.5055(8) 0.250000 0.0212(19) Uani 1 2 d S T P . .
O3 O 0.8907(8) 0.6962(5) 0.3901(6) 0.0175(13) Uani 1 1 d . . . . .
O4 O 0.6003(12) 0.750000 0.500000 0.0221(19) Uani 1 2 d S T P . .
O5 O 0.1948(12) 0.4681(8) 0.250000 0.029(2) Uani 1 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
Rb1 O2 2.735(5) . ?
Rb1 O3 2.860(5) . ?
Rb1 O1 2.903(5) 3_645 ?
Rb1 O3 3.016(6) 5_766 ?
Rb1 O4 3.120(7) 5_666 ?
Rb1 O3 3.150(5) 8_755 ?
Rb1 B1 3.188(4) 5_666 ?
Rb1 O5 3.252(3) 5_666 ?
Rb1 B2 3.2593(13) . ?
Rb1 O1 3.310(3) 5_666 ?
Rb1 Rb1 3.3206(18) 4_556 ?
Rb1 Li1 3.326(8) 5_666 ?
Li1 O3 1.839(14) 6_456 ?
Li1 O3 1.839(14) 1_455 ?
Li1 O1 1.95(2) . ?
Li1 O5 2.00(2) . ?
Li1 B1 2.27(2) . ?
Li1 Y1 3.06(2) 1_455 ?
Y1 O1 2.277(8) . ?
Y1 O5 2.316(8) 3_655 ?
Y1 O3 2.332(6) . ?
Y1 O3 2.332(6) 6_556 ?
Y1 O4 2.5132(11) 6_556 ?
Y1 O4 2.5132(11) . ?
Y1 O2 2.525(8) . ?
Y1 O2 2.641(8) 3_655 ?
Y1 B2 2.744(5) 6_556 ?
Y1 B2 2.744(5) . ?
Y1 B1 2.780(11) . ?
Y1 B1 2.845(11) 3_655 ?
B1 O5 1.372(14) . ?
B1 O2 1.373(13) . ?
B1 O1 1.397(13) . ?
B2 O3 1.370(8) . ?
B2 O3 1.370(8) 4_566 ?
B2 O4 1.386(15) . ?

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
O2 Rb1 O3 74.3(2) . . ?
O2 Rb1 O1 66.17(19) . 3_645 ?
O3 Rb1 O1 126.54(16) . 3_645 ?
O2 Rb1 O3 167.34(16) . 5_766 ?
O3 Rb1 O3 103.18(13) . 5_766 ?
O1 Rb1 O3 107.60(17) 3_645 5_766 ?
O2 Rb1 O4 75.99(17) . 5_666 ?
O3 Rb1 O4 137.51(14) . 5_666 ?
O1 Rb1 O4 64.20(14) 3_645 5_666 ?
O3 Rb1 O4 111.96(13) 5_766 5_666 ?
O2 Rb1 O3 122.72(16) . 8_755 ?
O3 Rb1 O3 113.03(9) . 8_755 ?
O1 Rb1 O3 65.90(18) 3_645 8_755 ?
O3 Rb1 O3 46.3(2) 5_766 8_755 ?
O4 Rb1 O3 108.45(12) 5_666 8_755 ?
O2 Rb1 B1 118.6(2) . 5_666 ?
O3 Rb1 B1 100.3(2) . 5_666 ?
O1 Rb1 B1 129.6(2) 3_645 5_666 ?
O3 Rb1 B1 74.0(2) 5_766 5_666 ?
O4 Rb1 B1 68.8(2) 5_666 5_666 ?
O3 Rb1 B1 115.6(2) 8_755 5_666 ?
O2 Rb1 O5 126.35(19) . 5_666 ?
O3 Rb1 O5 80.75(18) . 5_666 ?
O1 Rb1 O5 152.35(16) 3_645 5_666 ?
O3 Rb1 O5 64.40(18) 5_766 5_666 ?
O4 Rb1 O5 93.27(14) 5_666 5_666 ?
O3 Rb1 O5 110.65(18) 8_755 5_666 ?
B1 Rb1 O5 24.6(2) 5_666 5_666 ?
O2 Rb1 B2 80.3(2) . . ?
O3 Rb1 B2 24.78(17) . . ?
O1 Rb1 B2 144.43(13) 3_645 . ?
O3 Rb1 B2 102.7(2) 5_766 . ?
O4 Rb1 B2 120.1(2) 5_666 . ?
O3 Rb1 B2 130.5(2) 8_755 . ?
B1 Rb1 B2 76.4(2) 5_666 . ?
O5 Rb1 B2 59.97(13) 5_666 . ?
O2 Rb1 O1 129.31(19) . 5_666 ?
O3 Rb1 O1 123.20(17) . 5_666 ?
O1 Rb1 O1 109.65(10) 3_645 5_666 ?
O3 Rb1 O1 62.65(18) 5_766 5_666 ?
O4 Rb1 O1 59.73(13) 5_666 5_666 ?
O3 Rb1 O1 95.35(17) 8_755 5_666 ?
B1 Rb1 O1 24.7(2) 5_666 5_666 ?
O5 Rb1 O1 42.71(17) 5_666 5_666 ?
B2 Rb1 O1 100.50(13) . 5_666 ?
O2 Rb1 Rb1 122.45(16) . 4_556 ?
O3 Rb1 Rb1 162.54(11) . 4_556 ?
O1 Rb1 Rb1 63.85(10) 3_645 4_556 ?
O3 Rb1 Rb1 59.37(10) 5_766 4_556 ?
O4 Rb1 Rb1 57.85(8) 5_666 4_556 ?
O3 Rb1 Rb1 55.50(10) 8_755 4_556 ?
B1 Rb1 Rb1 76.6(2) 5_666 4_556 ?
O5 Rb1 Rb1 91.08(13) 5_666 4_556 ?
B2 Rb1 Rb1 151.03(5) . 4_556 ?
O1 Rb1 Rb1 51.93(12) 5_666 4_556 ?
O2 Rb1 Li1 159.3(3) . 5_666 ?
O3 Rb1 Li1 104.5(3) . 5_666 ?
O1 Rb1 Li1 125.0(3) 3_645 5_666 ?
O3 Rb1 Li1 33.3(3) 5_766 5_666 ?
O4 Rb1 Li1 93.0(3) 5_666 5_666 ?
O3 Rb1 Li1 77.2(3) 8_755 5_666 ?
B1 Rb1 Li1 40.8(4) 5_666 5_666 ?
O5 Rb1 Li1 35.5(3) 5_666 5_666 ?
B2 Rb1 Li1 90.6(3) . 5_666 ?
O1 Rb1 Li1 34.1(3) 5_666 5_666 ?
Rb1 Rb1 Li1 61.8(3) 4_556 5_666 ?
O3 Li1 O3 99.1(10) 6_456 1_455 ?
O3 Li1 O1 121.2(6) 6_456 . ?
O3 Li1 O1 121.2(6) 1_455 . ?
O3 Li1 O5 121.0(6) 6_456 . ?
O3 Li1 O5 121.0(6) 1_455 . ?
O1 Li1 O5 74.4(8) . . ?
O3 Li1 B1 130.4(5) 6_456 . ?
O3 Li1 B1 130.4(5) 1_455 . ?
O1 Li1 B1 37.7(5) . . ?
O5 Li1 B1 36.8(5) . . ?
O3 Li1 Y1 49.6(5) 6_456 1_455 ?
O3 Li1 Y1 49.6(5) 1_455 1_455 ?
O1 Li1 Y1 145.2(9) . 1_455 ?
O5 Li1 Y1 140.4(8) . 1_455 ?
B1 Li1 Y1 177.2(8) . 1_455 ?
O3 Li1 Rb1 163.1(8) 6_456 5_666 ?
O3 Li1 Rb1 64.1(2) 1_455 5_666 ?
O1 Li1 Rb1 72.5(3) . 5_666 ?
O5 Li1 Rb1 70.2(3) . 5_666 ?
B1 Li1 Rb1 66.3(3) . 5_666 ?
Y1 Li1 Rb1 113.5(3) 1_455 5_666 ?
O3 Li1 Rb1 64.1(2) 6_456 2_664 ?
O3 Li1 Rb1 163.1(8) 1_455 2_664 ?
O1 Li1 Rb1 72.5(3) . 2_664 ?
O5 Li1 Rb1 70.2(3) . 2_664 ?
B1 Li1 Rb1 66.3(3) . 2_664 ?
Y1 Li1 Rb1 113.5(3) 1_455 2_664 ?
Rb1 Li1 Rb1 132.6(6) 5_666 2_664 ?
O3 Li1 Rb1 117.7(8) 6_456 8_665 ?
O3 Li1 Rb1 66.0(4) 1_455 8_665 ?
O1 Li1 Rb1 58.2(4) . 8_665 ?
O5 Li1 Rb1 117.6(6) . 8_665 ?
B1 Li1 Rb1 88.1(5) . 8_665 ?
Y1 Li1 Rb1 94.2(4) 1_455 8_665 ?
Rb1 Li1 Rb1 59.03(16) 5_666 8_665 ?
Rb1 Li1 Rb1 122.2(5) 2_664 8_665 ?
O3 Li1 Rb1 66.0(4) 6_456 3_655 ?
O3 Li1 Rb1 117.7(8) 1_455 3_655 ?
O1 Li1 Rb1 58.2(4) . 3_655 ?
O5 Li1 Rb1 117.6(6) . 3_655 ?
B1 Li1 Rb1 88.1(5) . 3_655 ?
Y1 Li1 Rb1 94.2(4) 1_455 3_655 ?
Rb1 Li1 Rb1 122.2(5) 5_666 3_655 ?
Rb1 Li1 Rb1 59.03(16) 2_664 3_655 ?
Rb1 Li1 Rb1 69.8(3) 8_665 3_655 ?
O3 Li1 Rb1 54.1(4) 6_456 6_456 ?
O3 Li1 Rb1 104.9(7) 1_455 6_456 ?
O1 Li1 Rb1 132.8(6) . 6_456 ?
O5 Li1 Rb1 73.7(5) . 6_456 ?
B1 Li1 Rb1 104.1(6) . 6_456 ?
Y1 Li1 Rb1 73.6(4) 1_455 6_456 ?
Rb1 Li1 Rb1 125.7(5) 5_666 6_456 ?
Rb1 Li1 Rb1 64.41(17) 2_664 6_456 ?
Rb1 Li1 Rb1 167.8(6) 8_665 6_456 ?
Rb1 Li1 Rb1 110.05(11) 3_655 6_456 ?
O3 Li1 Rb1 104.9(7) 6_456 1_455 ?
O3 Li1 Rb1 54.1(4) 1_455 1_455 ?
O1 Li1 Rb1 132.8(6) . 1_455 ?
O5 Li1 Rb1 73.7(5) . 1_455 ?
B1 Li1 Rb1 104.1(6) . 1_455 ?
Y1 Li1 Rb1 73.6(4) 1_455 1_455 ?
Rb1 Li1 Rb1 64.41(17) 5_666 1_455 ?
Rb1 Li1 Rb1 125.7(5) 2_664 1_455 ?
Rb1 Li1 Rb1 110.05(11) 8_665 1_455 ?
Rb1 Li1 Rb1 167.8(6) 3_655 1_455 ?
Rb1 Li1 Rb1 67.4(3) 6_456 1_455 ?
O1 Y1 O5 134.4(3) . 3_655 ?
O1 Y1 O3 132.24(18) . . ?
O5 Y1 O3 80.7(2) 3_655 . ?
O1 Y1 O3 132.24(18) . 6_556 ?
O5 Y1 O3 80.7(2) 3_655 6_556 ?
O3 Y1 O3 73.8(3) . 6_556 ?
O1 Y1 O4 83.87(18) . 6_556 ?
O5 Y1 O4 94.63(10) 3_655 6_556 ?
O3 Y1 O4 131.7(2) . 6_556 ?
O3 Y1 O4 58.1(2) 6_556 6_556 ?
O1 Y1 O4 83.87(18) . . ?
O5 Y1 O4 94.63(10) 3_655 . ?
O3 Y1 O4 58.1(2) . . ?
O3 Y1 O4 131.7(2) 6_556 . ?
O4 Y1 O4 167.7(4) 6_556 . ?
O1 Y1 O2 59.5(2) . . ?
O5 Y1 O2 166.0(3) 3_655 . ?
O3 Y1 O2 88.13(18) . . ?
O3 Y1 O2 88.13(18) 6_556 . ?
O4 Y1 O2 86.48(6) 6_556 . ?
O4 Y1 O2 86.48(6) . . ?
O1 Y1 O2 77.2(2) . 3_655 ?
O5 Y1 O2 57.2(3) 3_655 3_655 ?
O3 Y1 O2 124.86(17) . 3_655 ?
O3 Y1 O2 124.86(17) 6_556 3_655 ?
O4 Y1 O2 89.12(9) 6_556 3_655 ?
O4 Y1 O2 89.12(9) . 3_655 ?
O2 Y1 O2 136.73(6) . 3_655 ?
O1 Y1 B2 113.1(2) . 6_556 ?
O5 Y1 B2 79.55(14) 3_655 6_556 ?
O3 Y1 B2 103.1(3) . 6_556 ?
O3 Y1 B2 29.9(3) 6_556 6_556 ?
O4 Y1 B2 30.2(3) 6_556 6_556 ?
O4 Y1 B2 161.1(3) . 6_556 ?
O2 Y1 B2 94.95(10) . 6_556 ?
O2 Y1 B2 102.36(12) 3_655 6_556 ?
O1 Y1 B2 113.1(2) . . ?
O5 Y1 B2 79.55(14) 3_655 . ?
O3 Y1 B2 29.9(3) . . ?
O3 Y1 B2 103.1(3) 6_556 . ?
O4 Y1 B2 161.1(3) 6_556 . ?
O4 Y1 B2 30.2(3) . . ?
O2 Y1 B2 94.95(10) . . ?
O2 Y1 B2 102.36(12) 3_655 . ?
B2 Y1 B2 131.2(5) 6_556 . ?
O1 Y1 B1 30.0(3) . . ?
O5 Y1 B1 164.5(3) 3_655 . ?
O3 Y1 B1 111.4(2) . . ?
O3 Y1 B1 111.4(2) 6_556 . ?
O4 Y1 B1 84.45(13) 6_556 . ?
O4 Y1 B1 84.45(13) . . ?
O2 Y1 B1 29.5(3) . . ?
O2 Y1 B1 107.2(3) 3_655 . ?
B2 Y1 B1 105.91(19) 6_556 . ?
B2 Y1 B1 105.91(19) . . ?
O1 Y1 B1 105.9(3) . 3_655 ?
O5 Y1 B1 28.6(3) 3_655 3_655 ?
O3 Y1 B1 103.5(2) . 3_655 ?
O3 Y1 B1 103.5(2) 6_556 3_655 ?
O4 Y1 B1 92.14(3) 6_556 3_655 ?
O4 Y1 B1 92.14(3) . 3_655 ?
O2 Y1 B1 165.4(3) . 3_655 ?
O2 Y1 B1 28.7(3) 3_655 3_655 ?
B2 Y1 B1 91.04(10) 6_556 3_655 ?
B2 Y1 B1 91.04(10) . 3_655 ?
B1 Y1 B1 135.90(19) . 3_655 ?
O5 B1 O2 121.1(9) . . ?
O5 B1 O1 119.3(9) . . ?
O2 B1 O1 119.6(9) . . ?
O5 B1 Li1 60.9(7) . . ?
O2 B1 Li1 177.9(9) . . ?
O1 B1 Li1 58.4(7) . . ?
O5 B1 Y1 174.0(8) . . ?
O2 B1 Y1 64.9(5) . . ?
O1 B1 Y1 54.6(5) . . ?
Li1 B1 Y1 113.0(6) . . ?
O5 B1 Y1 53.8(5) . 3_645 ?
O2 B1 Y1 67.3(5) . 3_645 ?
O1 B1 Y1 173.1(8) . 3_645 ?
Li1 B1 Y1 114.7(6) . 3_645 ?
Y1 B1 Y1 132.3(4) . 3_645 ?
O5 B1 Rb1 80.3(2) . 2_664 ?
O2 B1 Rb1 107.17(19) . 2_664 ?
O1 B1 Rb1 82.5(2) . 2_664 ?
Li1 B1 Rb1 72.88(19) . 2_664 ?
Y1 B1 Rb1 98.1(2) . 2_664 ?
Y1 B1 Rb1 95.6(2) 3_645 2_664 ?
O5 B1 Rb1 80.3(2) . 5_666 ?
O2 B1 Rb1 107.17(19) . 5_666 ?
O1 B1 Rb1 82.5(2) . 5_666 ?
Li1 B1 Rb1 72.88(19) . 5_666 ?
Y1 B1 Rb1 98.1(2) . 5_666 ?
Y1 B1 Rb1 95.6(2) 3_645 5_666 ?
Rb1 B1 Rb1 145.6(4) 2_664 5_666 ?
O3 B2 O3 124.6(11) . 4_566 ?
O3 B2 O4 117.7(5) . . ?
O3 B2 O4 117.7(5) 4_566 . ?
O3 B2 Y1 58.2(3) . . ?
O3 B2 Y1 155.5(2) 4_566 . ?
O4 B2 Y1 65.7(2) . . ?
O3 B2 Y1 155.5(2) . 7_576 ?
O3 B2 Y1 58.2(3) 4_566 7_576 ?
O4 B2 Y1 65.7(2) . 7_576 ?
Y1 B2 Y1 131.3(5) . 7_576 ?
O3 B2 Rb1 121.6(3) . 4_566 ?
O3 B2 Rb1 61.1(2) 4_566 4_566 ?
O4 B2 Rb1 87.5(2) . 4_566 ?
Y1 B2 Rb1 95.98(12) . 4_566 ?
Y1 B2 Rb1 81.98(9) 7_576 4_566 ?
O3 B2 Rb1 61.1(2) . . ?
O3 B2 Rb1 121.6(3) 4_566 . ?
O4 B2 Rb1 87.5(2) . . ?
Y1 B2 Rb1 81.98(9) . . ?
Y1 B2 Rb1 95.98(12) 7_576 . ?
Rb1 B2 Rb1 175.1(4) 4_566 . ?
O3 B2 Rb1 68.9(5) . 8_765 ?
O3 B2 Rb1 63.3(5) 4_566 8_765 ?
O4 B2 Rb1 150.50(11) . 8_765 ?
Y1 B2 Rb1 101.33(16) . 8_765 ?
Y1 B2 Rb1 121.4(2) 7_576 8_765 ?
Rb1 B2 Rb1 66.83(13) 4_566 8_765 ?
Rb1 B2 Rb1 117.9(3) . 8_765 ?
O3 B2 Rb1 63.3(5) . 5_766 ?
O3 B2 Rb1 68.9(5) 4_566 5_766 ?
O4 B2 Rb1 150.50(11) . 5_766 ?
Y1 B2 Rb1 121.4(2) . 5_766 ?
Y1 B2 Rb1 101.33(16) 7_576 5_766 ?
Rb1 B2 Rb1 117.9(3) 4_566 5_766 ?
Rb1 B2 Rb1 66.83(13) . 5_766 ?
Rb1 B2 Rb1 59.0(2) 8_765 5_766 ?
B1 O1 Li1 84.0(8) . . ?
B1 O1 Y1 95.3(6) . . ?
Li1 O1 Y1 179.3(7) . . ?
B1 O1 Rb1 136.80(15) . 8_665 ?
Li1 O1 Rb1 87.1(5) . 8_665 ?
Y1 O1 Rb1 93.4(2) . 8_665 ?
B1 O1 Rb1 136.80(15) . 3_655 ?
Li1 O1 Rb1 87.1(5) . 3_655 ?
Y1 O1 Rb1 93.4(2) . 3_655 ?
Rb1 O1 Rb1 84.5(2) 8_665 3_655 ?
B1 O1 Rb1 72.72(18) . 2_664 ?
Li1 O1 Rb1 73.4(2) . 2_664 ?
Y1 O1 Rb1 106.41(15) . 2_664 ?
Rb1 O1 Rb1 143.4(2) 8_665 2_664 ?
Rb1 O1 Rb1 64.22(5) 3_655 2_664 ?
B1 O1 Rb1 72.72(18) . 5_666 ?
Li1 O1 Rb1 73.4(2) . 5_666 ?
Y1 O1 Rb1 106.41(15) . 5_666 ?
Rb1 O1 Rb1 64.22(5) 8_665 5_666 ?
Rb1 O1 Rb1 143.4(2) 3_655 5_666 ?
Rb1 O1 Rb1 133.8(2) 2_664 5_666 ?
B1 O2 Y1 85.6(6) . . ?
B1 O2 Y1 84.0(6) . 3_645 ?
Y1 O2 Y1 169.5(3) . 3_645 ?
B1 O2 Rb1 134.10(14) . . ?
Y1 O2 Rb1 97.5(2) . . ?
Y1 O2 Rb1 89.81(19) 3_645 . ?
B1 O2 Rb1 134.10(14) . 6_556 ?
Y1 O2 Rb1 97.5(2) . 6_556 ?
Y1 O2 Rb1 89.81(19) 3_645 6_556 ?
Rb1 O2 Rb1 91.1(2) . 6_556 ?
B2 O3 Li1 168.9(8) . 1_655 ?
B2 O3 Y1 91.9(5) . . ?
Li1 O3 Y1 93.5(5) 1_655 . ?
B2 O3 Rb1 94.2(3) . . ?
Li1 O3 Rb1 94.6(6) 1_655 . ?
Y1 O3 Rb1 98.79(18) . . ?
B2 O3 Rb1 92.7(5) . 5_766 ?
Li1 O3 Rb1 82.6(5) 1_655 5_766 ?
Y1 O3 Rb1 173.8(2) . 5_766 ?
Rb1 O3 Rb1 76.82(13) . 5_766 ?
B2 O3 Rb1 87.1(5) . 8_765 ?
Li1 O3 Rb1 81.8(6) 1_655 8_765 ?
Y1 O3 Rb1 119.2(2) . 8_765 ?
Rb1 O3 Rb1 141.94(19) . 8_765 ?
Rb1 O3 Rb1 65.13(11) 5_766 8_765 ?
B2 O4 Y1 84.18(18) . 7_576 ?
B2 O4 Y1 84.18(18) . . ?
Y1 O4 Y1 168.4(4) 7_576 . ?
B2 O4 Rb1 147.85(8) . 5_666 ?
Y1 O4 Rb1 83.95(13) 7_576 5_666 ?
Y1 O4 Rb1 106.09(18) . 5_666 ?
B2 O4 Rb1 147.85(8) . 8_665 ?
Y1 O4 Rb1 106.09(18) 7_576 8_665 ?
Y1 O4 Rb1 83.95(13) . 8_665 ?
Rb1 O4 Rb1 64.29(16) 5_666 8_665 ?
B2 O4 Rb1 69.07(12) . 4_566 ?
Y1 O4 Rb1 80.76(8) 7_576 4_566 ?
Y1 O4 Rb1 95.05(9) . 4_566 ?
Rb1 O4 Rb1 137.53(17) 5_666 4_566 ?
Rb1 O4 Rb1 82.37(6) 8_665 4_566 ?
B2 O4 Rb1 69.07(12) . . ?
Y1 O4 Rb1 95.05(9) 7_576 . ?
Y1 O4 Rb1 80.76(8) . . ?
Rb1 O4 Rb1 82.37(6) 5_666 . ?
Rb1 O4 Rb1 137.53(17) 8_665 . ?
Rb1 O4 Rb1 138.1(2) 4_566 . ?
B1 O5 Li1 82.3(8) . . ?
B1 O5 Y1 97.7(6) . 3_645 ?
Li1 O5 Y1 180.0(7) . 3_645 ?
B1 O5 Rb1 75.10(19) . 5_666 ?
Li1 O5 Rb1 74.29(18) . 5_666 ?
Y1 O5 Rb1 105.70(15) 3_645 5_666 ?
B1 O5 Rb1 75.10(19) . 2_664 ?
Li1 O5 Rb1 74.29(18) . 2_664 ?
Y1 O5 Rb1 105.70(15) 3_645 2_664 ?
Rb1 O5 Rb1 138.9(3) 5_666 2_664 ?
B1 O5 Rb1 137.4(4) . 6_456 ?
Li1 O5 Rb1 73.3(5) . 6_456 ?
Y1 O5 Rb1 106.8(2) 3_645 6_456 ?
Rb1 O5 Rb1 127.9(2) 5_666 6_456 ?
Rb1 O5 Rb1 65.04(8) 2_664 6_456 ?
B1 O5 Rb1 137.4(4) . 1_455 ?
Li1 O5 Rb1 73.3(5) . 1_455 ?
Y1 O5 Rb1 106.8(2) 3_645 1_455 ?
Rb1 O5 Rb1 65.04(8) 5_666 1_455 ?
Rb1 O5 Rb1 127.9(2) 2_664 1_455 ?
Rb1 O5 Rb1 67.19(15) 6_456 1_455 ?

_refine_diff_density_max         1.070
_refine_diff_density_min         -1.389
_refine_diff_density_rms         0.243

####################################################################### 
# 
# 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_a
_database_code_depnum_ccdc_archive 'CCDC 2130797'
loop_
_audit_author_name
_audit_author_address
Tianjin
;Tianjin
China
;
_audit_update_record             
;
2021-12-24 deposited with the CCDC.	2022-03-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'B2 Ca O6 Rb Y'
_chemical_formula_weight         332.08

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ca Ca 0.2262 0.3064 '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'
Rb Rb -0.9393 2.9676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'

_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'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   10.0467(5)
_cell_length_b                   9.1404(3)
_cell_length_c                   13.0429(6)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1197.74(9)
_cell_formula_units_Z            8
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    1709
_cell_measurement_theta_min      3.12
_cell_measurement_theta_max      27.31

_exptl_crystal_description       block
_exptl_crystal_colour            lucency
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.683
_exptl_crystal_F_000             1232
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    18.634
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            4702
_diffrn_reflns_av_unetI/netI     0.0448
_diffrn_reflns_av_R_equivalents  0.0435
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         3.124
_diffrn_reflns_theta_max         27.482
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             1358
_reflns_number_gt                1108
_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    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_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)+(0.1117P)²+66.0029P] 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     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         1358
_refine_ls_number_parameters     100
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0898
_refine_ls_R_factor_gt           0.0743
_refine_ls_wR_factor_ref         0.2262
_refine_ls_wR_factor_gt          0.2106
_refine_ls_goodness_of_fit_ref   1.120
_refine_ls_restrained_S_all      1.168
_refine_ls_shift/su_max          0.000
_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
Rb1 Rb 0.35399(14) 0.56837(15) 0.58976(11) 0.0199(4) Uani 1 1 d . . . . .
Ca1 Ca 0.6225(2) 0.7557(3) 0.71891(19) 0.0063(5) Uani 1 1 d . U . . .
Y1 Y 0.91291(13) 0.59743(14) 0.61299(11) 0.0132(4) Uani 1 1 d . . . . .
B1 B 0.6254(12) 0.7639(14) 0.4972(11) 0.006(2) Uani 1 1 d . . . . .
B2 B 0.6382(12) 0.4189(13) 0.7341(11) 0.003(2) Uani 1 1 d . U . . .
O1 O 0.6241(9) 0.2705(10) 0.7399(8) 0.015(2) Uani 1 1 d . . . . .
O2 O 0.5433(10) 0.8602(10) 0.5491(8) 0.016(2) Uani 1 1 d . . . . .
O3 O 0.7606(10) 0.4762(11) 0.7092(8) 0.020(2) Uani 1 1 d . . . . .
O4 O 0.7199(9) 0.6879(11) 0.5483(7) 0.016(2) Uani 1 1 d . . . . .
O5 O 0.5352(9) 0.5130(11) 0.7524(8) 0.018(2) Uani 1 1 d . . . . .
O6 O 0.6020(11) 0.7493(11) 0.3931(8) 0.019(2) 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
Rb1 O5 2.841(10) . ?
Rb1 O1 2.897(10) 3_656 ?
Rb1 O3 2.910(11) 6_557 ?
Rb1 O6 2.945(10) 5_666 ?
Rb1 B1 2.985(13) 4_466 ?
Rb1 O6 3.040(12) 4_466 ?
Rb1 O4 3.046(10) 5_666 ?
Rb1 O4 3.166(10) 4_466 ?
Rb1 B1 3.248(13) 5_666 ?
Rb1 O2 3.319(10) . ?
Rb1 B2 3.442(13) 6_557 ?
Rb1 B1 3.477(13) . ?
Ca1 O6 2.282(11) 7_576 ?
Ca1 O3 2.336(11) 8_765 ?
Ca1 O5 2.425(10) . ?
Ca1 O4 2.509(10) . ?
Ca1 O1 2.539(10) 3_656 ?
Ca1 O2 2.540(10) . ?
Ca1 O1 2.564(10) 8_765 ?
Ca1 B2 2.837(12) 8_765 ?
Ca1 O5 2.860(11) 3_656 ?
Ca1 B1 2.893(15) . ?
Ca1 O3 2.910(11) . ?
Ca1 B2 3.076(12) 3_656 ?
Y1 O3 2.268(10) . ?
Y1 O4 2.270(9) . ?
Y1 O5 2.278(10) 6_657 ?
Y1 O1 2.320(10) 8_765 ?
Y1 O6 2.362(10) 4_566 ?
Y1 O2 2.365(9) 8_755 ?
Y1 O2 2.517(10) 4_566 ?
Y1 B1 2.869(13) 4_566 ?
Y1 Y1 3.863(3) 5_766 ?
B1 O4 1.353(15) . ?
B1 O2 1.383(16) . ?
B1 O6 1.384(17) . ?
B2 O5 1.366(14) . ?
B2 O1 1.367(14) . ?
B2 O3 1.375(15) . ?

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
O5 Rb1 O1 59.5(3) . 3_656 ?
O5 Rb1 O3 58.8(3) . 6_557 ?
O1 Rb1 O3 61.2(3) 3_656 6_557 ?
O5 Rb1 O6 70.8(3) . 5_666 ?
O1 Rb1 O6 124.0(3) 3_656 5_666 ?
O3 Rb1 O6 72.2(3) 6_557 5_666 ?
O5 Rb1 B1 150.3(3) . 4_466 ?
O1 Rb1 B1 91.3(3) 3_656 4_466 ?
O3 Rb1 B1 104.1(3) 6_557 4_466 ?
O6 Rb1 B1 130.6(3) 5_666 4_466 ?
O5 Rb1 O6 125.2(3) . 4_466 ?
O1 Rb1 O6 70.0(3) 3_656 4_466 ?
O3 Rb1 O6 79.9(3) 6_557 4_466 ?
O6 Rb1 O6 131.3(3) 5_666 4_466 ?
B1 Rb1 O6 26.5(3) 4_466 4_466 ?
O5 Rb1 O4 117.4(3) . 5_666 ?
O1 Rb1 O4 164.1(3) 3_656 5_666 ?
O3 Rb1 O4 103.4(3) 6_557 5_666 ?
O6 Rb1 O4 47.4(3) 5_666 5_666 ?
B1 Rb1 O4 89.0(3) 4_466 5_666 ?
O6 Rb1 O4 105.2(3) 4_466 5_666 ?
O5 Rb1 O4 145.4(3) . 4_466 ?
O1 Rb1 O4 91.1(3) 3_656 4_466 ?
O3 Rb1 O4 125.4(3) 6_557 4_466 ?
O6 Rb1 O4 143.2(3) 5_666 4_466 ?
B1 Rb1 O4 25.2(3) 4_466 4_466 ?
O6 Rb1 O4 45.7(3) 4_466 4_466 ?
O4 Rb1 O4 95.8(2) 5_666 4_466 ?
O5 Rb1 B1 93.1(3) . 5_666 ?
O1 Rb1 B1 149.2(3) 3_656 5_666 ?
O3 Rb1 B1 93.7(3) 6_557 5_666 ?
O6 Rb1 B1 25.2(3) 5_666 5_666 ?
B1 Rb1 B1 113.4(4) 4_466 5_666 ?
O6 Rb1 B1 126.3(3) 4_466 5_666 ?
O4 Rb1 B1 24.5(3) 5_666 5_666 ?
O4 Rb1 B1 119.1(3) 4_466 5_666 ?
O5 Rb1 O2 84.0(3) . . ?
O1 Rb1 O2 64.3(3) 3_656 . ?
O3 Rb1 O2 124.2(3) 6_557 . ?
O6 Rb1 O2 135.9(3) 5_666 . ?
B1 Rb1 O2 88.1(3) 4_466 . ?
O6 Rb1 O2 92.8(2) 4_466 . ?
O4 Rb1 O2 131.5(3) 5_666 . ?
O4 Rb1 O2 65.6(2) 4_466 . ?
B1 Rb1 O2 131.2(3) 5_666 . ?
O5 Rb1 B2 80.5(3) . 6_557 ?
O1 Rb1 B2 77.8(3) 3_656 6_557 ?
O3 Rb1 B2 23.1(3) 6_557 6_557 ?
O6 Rb1 B2 69.7(3) 5_666 6_557 ?
B1 Rb1 B2 88.4(3) 4_466 6_557 ?
O6 Rb1 B2 69.1(3) 4_466 6_557 ?
O4 Rb1 B2 86.3(3) 5_666 6_557 ?
O4 Rb1 B2 113.0(3) 4_466 6_557 ?
B1 Rb1 B2 84.4(3) 5_666 6_557 ?
O2 Rb1 B2 141.9(3) . 6_557 ?
O5 Rb1 B1 81.3(3) . . ?
O1 Rb1 B1 83.1(3) 3_656 . ?
O3 Rb1 B1 135.6(3) 6_557 . ?
O6 Rb1 B1 114.5(3) 5_666 . ?
B1 Rb1 B1 101.97(5) 4_466 . ?
O6 Rb1 B1 113.4(3) 4_466 . ?
O4 Rb1 B1 112.4(3) 5_666 . ?
O4 Rb1 B1 77.0(3) 4_466 . ?
B1 Rb1 B1 108.0(3) 5_666 . ?
O2 Rb1 B1 23.3(3) . . ?
B2 Rb1 B1 158.4(3) 6_557 . ?
O6 Ca1 O3 96.7(4) 7_576 8_765 ?
O6 Ca1 O5 76.7(4) 7_576 . ?
O3 Ca1 O5 168.7(4) 8_765 . ?
O6 Ca1 O4 156.0(4) 7_576 . ?
O3 Ca1 O4 88.2(4) 8_765 . ?
O5 Ca1 O4 94.3(3) . . ?
O6 Ca1 O1 72.7(4) 7_576 3_656 ?
O3 Ca1 O1 117.2(3) 8_765 3_656 ?
O5 Ca1 O1 70.0(3) . 3_656 ?
O4 Ca1 O1 125.6(3) . 3_656 ?
O6 Ca1 O2 147.9(4) 7_576 . ?
O3 Ca1 O2 77.6(3) 8_765 . ?
O5 Ca1 O2 112.8(3) . . ?
O4 Ca1 O2 56.1(3) . . ?
O1 Ca1 O2 81.9(3) 3_656 . ?
O6 Ca1 O1 89.1(4) 7_576 8_765 ?
O3 Ca1 O1 57.4(3) 8_765 8_765 ?
O5 Ca1 O1 112.8(3) . 8_765 ?
O4 Ca1 O1 73.8(3) . 8_765 ?
O1 Ca1 O1 160.66(17) 3_656 8_765 ?
O2 Ca1 O1 112.6(3) . 8_765 ?
O6 Ca1 B2 91.0(4) 7_576 8_765 ?
O3 Ca1 B2 28.8(3) 8_765 8_765 ?
O5 Ca1 B2 140.8(3) . 8_765 ?
O4 Ca1 B2 82.0(4) . 8_765 ?
O1 Ca1 B2 141.7(3) 3_656 8_765 ?
O2 Ca1 B2 97.4(4) . 8_765 ?
O1 Ca1 B2 28.7(3) 8_765 8_765 ?
O6 Ca1 O5 80.6(4) 7_576 3_656 ?
O3 Ca1 O5 64.9(3) 8_765 3_656 ?
O5 Ca1 O5 121.90(10) . 3_656 ?
O4 Ca1 O5 122.4(3) . 3_656 ?
O1 Ca1 O5 52.3(3) 3_656 3_656 ?
O2 Ca1 O5 68.4(3) . 3_656 ?
O1 Ca1 O5 119.5(3) 8_765 3_656 ?
B2 Ca1 O5 91.6(3) 8_765 3_656 ?
O6 Ca1 B1 175.4(4) 7_576 . ?
O3 Ca1 B1 85.3(4) 8_765 . ?
O5 Ca1 B1 102.0(4) . . ?
O4 Ca1 B1 27.9(3) . . ?
O1 Ca1 B1 102.7(3) 3_656 . ?
O2 Ca1 B1 28.6(3) . . ?
O1 Ca1 B1 95.5(3) 8_765 . ?
B2 Ca1 B1 92.7(4) 8_765 . ?
O5 Ca1 B1 96.6(3) 3_656 . ?
O6 Ca1 O3 94.0(4) 7_576 . ?
O3 Ca1 O3 121.01(11) 8_765 . ?
O5 Ca1 O3 51.5(3) . . ?
O4 Ca1 O3 63.8(3) . . ?
O1 Ca1 O3 121.4(3) 3_656 . ?
O2 Ca1 O3 116.2(3) . . ?
O1 Ca1 O3 65.0(3) 8_765 . ?
B2 Ca1 O3 93.5(3) 8_765 . ?
O5 Ca1 O3 172.6(3) 3_656 . ?
B1 Ca1 O3 88.5(3) . . ?
O6 Ca1 B2 74.6(4) 7_576 3_656 ?
O3 Ca1 B2 91.2(3) 8_765 3_656 ?
O5 Ca1 B2 95.7(3) . 3_656 ?
O4 Ca1 B2 129.0(3) . 3_656 ?
O1 Ca1 B2 26.0(3) 3_656 3_656 ?
O2 Ca1 B2 74.0(3) . 3_656 ?
O1 Ca1 B2 143.0(3) 8_765 3_656 ?
B2 Ca1 B2 116.9(4) 8_765 3_656 ?
O5 Ca1 B2 26.3(3) 3_656 3_656 ?
B1 Ca1 B2 101.3(4) . 3_656 ?
O3 Ca1 B2 147.2(3) . 3_656 ?
O3 Y1 O4 78.9(4) . . ?
O3 Y1 O5 76.8(4) . 6_657 ?
O4 Y1 O5 150.5(4) . 6_657 ?
O3 Y1 O1 80.2(4) . 8_765 ?
O4 Y1 O1 83.1(3) . 8_765 ?
O5 Y1 O1 76.6(3) 6_657 8_765 ?
O3 Y1 O6 148.3(4) . 4_566 ?
O4 Y1 O6 117.3(4) . 4_566 ?
O5 Y1 O6 78.1(4) 6_657 4_566 ?
O1 Y1 O6 75.4(3) 8_765 4_566 ?
O3 Y1 O2 82.7(4) . 8_755 ?
O4 Y1 O2 111.2(4) . 8_755 ?
O5 Y1 O2 82.0(3) 6_657 8_755 ?
O1 Y1 O2 155.1(3) 8_765 8_755 ?
O6 Y1 O2 112.5(4) 4_566 8_755 ?
O3 Y1 O2 153.0(3) . 4_566 ?
O4 Y1 O2 94.4(3) . 4_566 ?
O5 Y1 O2 114.7(3) 6_657 4_566 ?
O1 Y1 O2 125.3(3) 8_765 4_566 ?
O6 Y1 O2 57.4(3) 4_566 4_566 ?
O2 Y1 O2 75.4(3) 8_755 4_566 ?
O3 Y1 B1 174.3(4) . 4_566 ?
O4 Y1 B1 106.8(4) . 4_566 ?
O5 Y1 B1 97.7(4) 6_657 4_566 ?
O1 Y1 B1 100.1(4) 8_765 4_566 ?
O6 Y1 B1 28.6(4) 4_566 4_566 ?
O2 Y1 B1 95.2(4) 8_755 4_566 ?
O2 Y1 B1 28.8(3) 4_566 4_566 ?
O3 Y1 Ca1 105.8(3) . 6_657 ?
O4 Y1 Ca1 128.3(3) . 6_657 ?
O5 Y1 Ca1 46.1(3) 6_657 6_657 ?
O1 Y1 Ca1 48.9(2) 8_765 6_657 ?
O6 Y1 Ca1 42.6(3) 4_566 6_657 ?
O2 Y1 Ca1 120.5(3) 8_755 6_657 ?
O2 Y1 Ca1 98.9(2) 4_566 6_657 ?
B1 Y1 Ca1 70.8(3) 4_566 6_657 ?
O3 Y1 Ca1 42.5(3) . 8_755 ?
O4 Y1 Ca1 113.1(3) . 8_755 ?
O5 Y1 Ca1 55.8(3) 6_657 8_755 ?
O1 Y1 Ca1 108.4(2) 8_765 8_755 ?
O6 Y1 Ca1 129.5(3) 4_566 8_755 ?
O2 Y1 Ca1 47.7(2) 8_755 8_755 ?
O2 Y1 Ca1 122.1(2) 4_566 8_755 ?
B1 Y1 Ca1 132.9(3) 4_566 8_755 ?
Ca1 Y1 Ca1 101.16(5) 6_657 8_755 ?
O3 Y1 Ca1 55.1(3) . . ?
O4 Y1 Ca1 44.9(2) . . ?
O5 Y1 Ca1 106.4(2) 6_657 . ?
O1 Y1 Ca1 46.4(2) 8_765 . ?
O6 Y1 Ca1 115.7(3) 4_566 . ?
O2 Y1 Ca1 131.8(2) 8_755 . ?
O2 Y1 Ca1 134.0(2) 4_566 . ?
B1 Y1 Ca1 129.0(3) 4_566 . ?
Ca1 Y1 Ca1 94.92(5) 6_657 . ?
Ca1 Y1 Ca1 97.44(6) 8_755 . ?
O3 Y1 Y1 120.2(3) . 5_766 ?
O4 Y1 Y1 105.7(2) . 5_766 ?
O5 Y1 Y1 100.8(2) 6_657 5_766 ?
O1 Y1 Y1 158.7(3) 8_765 5_766 ?
O6 Y1 Y1 83.3(3) 4_566 5_766 ?
O2 Y1 Y1 39.1(2) 8_755 5_766 ?
O2 Y1 Y1 36.3(2) 4_566 5_766 ?
B1 Y1 Y1 59.0(3) 4_566 5_766 ?
Ca1 Y1 Y1 114.32(7) 6_657 5_766 ?
Ca1 Y1 Y1 86.24(6) 8_755 5_766 ?
Ca1 Y1 Y1 149.33(7) . 5_766 ?
O4 B1 O2 120.3(12) . . ?
O4 B1 O6 123.6(11) . . ?
O2 B1 O6 116.1(11) . . ?
O4 B1 Y1 175.2(9) . 4_466 ?
O2 B1 Y1 61.3(6) . 4_466 ?
O6 B1 Y1 54.9(6) . 4_466 ?
O4 B1 Ca1 60.1(7) . . ?
O2 B1 Ca1 61.4(7) . . ?
O6 B1 Ca1 167.4(9) . . ?
Y1 B1 Ca1 120.3(5) 4_466 . ?
O4 B1 Rb1 84.9(7) . 4_566 ?
O2 B1 Rb1 108.5(8) . 4_566 ?
O6 B1 Rb1 78.9(8) . 4_566 ?
Y1 B1 Rb1 98.9(4) 4_466 4_566 ?
Ca1 B1 Rb1 113.6(4) . 4_566 ?
O4 B1 Rb1 69.3(7) . 5_666 ?
O2 B1 Rb1 143.5(8) . 5_666 ?
O6 B1 Rb1 65.1(6) . 5_666 ?
Y1 B1 Rb1 106.6(4) 4_466 5_666 ?
Ca1 B1 Rb1 109.0(4) . 5_666 ?
Rb1 B1 Rb1 107.4(4) 4_566 5_666 ?
O4 B1 Rb1 96.6(8) . . ?
O2 B1 Rb1 71.9(7) . . ?
O6 B1 Rb1 99.1(8) . . ?
Y1 B1 Rb1 79.5(3) 4_466 . ?
Ca1 B1 Rb1 68.4(3) . . ?
Rb1 B1 Rb1 177.9(5) 4_566 . ?
Rb1 B1 Rb1 72.0(3) 5_666 . ?
O5 B2 O1 122.5(11) . . ?
O5 B2 O3 118.6(11) . . ?
O1 B2 O3 118.9(11) . . ?
O5 B2 Ca1 170.0(9) . 8_755 ?
O1 B2 Ca1 64.5(6) . 8_755 ?
O3 B2 Ca1 54.9(6) . 8_755 ?
O5 B2 Ca1 68.0(6) . 3_646 ?
O1 B2 Ca1 54.5(6) . 3_646 ?
O3 B2 Ca1 173.2(9) . 3_646 ?
Ca1 B2 Ca1 118.7(4) 8_755 3_646 ?
O5 B2 Ca1 49.1(6) . . ?
O1 B2 Ca1 171.1(8) . . ?
O3 B2 Ca1 69.6(6) . . ?
Ca1 B2 Ca1 124.3(4) 8_755 . ?
Ca1 B2 Ca1 116.9(4) 3_646 . ?
O5 B2 Rb1 96.3(7) . 6_657 ?
O1 B2 Rb1 114.9(8) . 6_657 ?
O3 B2 Rb1 56.2(6) . 6_657 ?
Ca1 B2 Rb1 73.8(3) 8_755 6_657 ?
Ca1 B2 Rb1 126.6(4) 3_646 6_657 ?
Ca1 B2 Rb1 71.3(3) . 6_657 ?
O5 B2 Rb1 43.0(6) . . ?
O1 B2 Rb1 108.5(7) . . ?
O3 B2 Rb1 115.6(8) . . ?
Ca1 B2 Rb1 144.8(5) 8_755 . ?
Ca1 B2 Rb1 67.8(2) 3_646 . ?
Ca1 B2 Rb1 63.8(2) . . ?
Rb1 B2 Rb1 133.0(4) 6_657 . ?
B2 O1 Y1 130.8(8) . 8_755 ?
B2 O1 Ca1 99.5(7) . 3_646 ?
Y1 O1 Ca1 87.6(3) 8_755 3_646 ?
B2 O1 Ca1 86.8(7) . 8_755 ?
Y1 O1 Ca1 92.7(3) 8_755 8_755 ?
Ca1 O1 Ca1 171.4(4) 3_646 8_755 ?
B2 O1 Rb1 131.9(8) . 3_646 ?
Y1 O1 Rb1 97.2(3) 8_755 3_646 ?
Ca1 O1 Rb1 83.0(3) 3_646 3_646 ?
Ca1 O1 Rb1 88.5(3) 8_755 3_646 ?
B1 O2 Y1 130.2(8) . 8_765 ?
B1 O2 Y1 89.9(7) . 4_466 ?
Y1 O2 Y1 104.6(3) 8_765 4_466 ?
B1 O2 Ca1 90.0(7) . . ?
Y1 O2 Ca1 88.8(3) 8_765 . ?
Y1 O2 Ca1 162.4(4) 4_466 . ?
B1 O2 Rb1 84.7(7) . . ?
Y1 O2 Rb1 141.9(4) 8_765 . ?
Y1 O2 Rb1 87.7(3) 4_466 . ?
Ca1 O2 Rb1 74.8(2) . . ?
B2 O3 Y1 156.9(9) . . ?
B2 O3 Ca1 96.3(7) . 8_755 ?
Y1 O3 Ca1 96.4(4) . 8_755 ?
B2 O3 Rb1 100.7(8) . 6_657 ?
Y1 O3 Rb1 98.0(3) . 6_657 ?
Ca1 O3 Rb1 92.2(3) 8_755 6_657 ?
B2 O3 Ca1 84.1(7) . . ?
Y1 O3 Ca1 85.2(3) . . ?
Ca1 O3 Ca1 174.1(5) 8_755 . ?
Rb1 O3 Ca1 82.0(3) 6_657 . ?
B1 O4 Y1 165.9(9) . . ?
B1 O4 Ca1 92.1(8) . . ?
Y1 O4 Ca1 95.4(3) . . ?
B1 O4 Rb1 86.1(7) . 5_666 ?
Y1 O4 Rb1 98.5(3) . 5_666 ?
Ca1 O4 Rb1 128.3(4) . 5_666 ?
B1 O4 Rb1 69.9(7) . 4_566 ?
Y1 O4 Rb1 96.0(3) . 4_566 ?
Ca1 O4 Rb1 119.8(4) . 4_566 ?
Rb1 O4 Rb1 108.0(3) 5_666 4_566 ?
B2 O5 Y1 139.2(9) . 6_557 ?
B2 O5 Ca1 105.7(8) . . ?
Y1 O5 Ca1 91.4(3) 6_557 . ?
B2 O5 Rb1 117.8(8) . . ?
Y1 O5 Rb1 99.7(3) 6_557 . ?
Ca1 O5 Rb1 86.2(3) . . ?
B2 O5 Ca1 85.7(7) . 3_646 ?
Y1 O5 Ca1 83.0(3) 6_557 3_646 ?
Ca1 O5 Ca1 167.4(4) . 3_646 ?
Rb1 O5 Ca1 83.6(3) . 3_646 ?
B1 O6 Ca1 164.4(9) . 7_575 ?
B1 O6 Y1 96.5(7) . 4_466 ?
Ca1 O6 Y1 92.9(4) 7_575 4_466 ?
B1 O6 Rb1 89.7(7) . 5_666 ?
Ca1 O6 Rb1 92.4(3) 7_575 5_666 ?
Y1 O6 Rb1 135.1(5) 4_466 5_666 ?
B1 O6 Rb1 74.5(7) . 4_566 ?
Ca1 O6 Rb1 90.5(4) 7_575 4_566 ?
Y1 O6 Rb1 110.3(4) 4_466 4_566 ?
Rb1 O6 Rb1 114.2(3) 5_666 4_566 ?

_refine_diff_density_max         7.023
_refine_diff_density_min         -2.712
_refine_diff_density_rms         0.467

####################################################################### 
# 
# 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_a_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 2130798'
loop_
_audit_author_name
_audit_author_address
Tianjin
;Tianjin
China
;
_audit_update_record             
;
2021-12-24 deposited with the CCDC.	2022-03-01 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'B2.50 Cl0 Li O7.50 Rb0.50 Y2'
_chemical_formula_weight         374.52

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 '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'
Rb Rb -0.9393 2.9676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_H-M_alt        'P 2/n'
_space_group_name_Hall           '-P 2yac'

_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'
'-x, -y, -z'
'x-1/2, -y, z-1/2'

_cell_length_a                   10.5033(10)
_cell_length_b                   6.3799(8)
_cell_length_c                   19.735(2)
_cell_angle_alpha                90
_cell_angle_beta                 105.339(5)
_cell_angle_gamma                90
_cell_volume                     1275.3(2)
_cell_formula_units_Z            8
_cell_measurement_temperature    295(2)
_cell_measurement_reflns_used    2122
_cell_measurement_theta_min      3.19
_cell_measurement_theta_max      27.49

_exptl_crystal_description       block
_exptl_crystal_colour            lucency
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.901
_exptl_crystal_F_000             1376
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    21.901
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      295(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            9691
_diffrn_reflns_av_unetI/netI     0.0817
_diffrn_reflns_av_R_equivalents  0.0851
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.515
_diffrn_reflns_theta_max         27.509
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measured_fraction_theta_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_point_group_measured_fraction_full 0.989
_reflns_number_total             2866
_reflns_number_gt                2120
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0317P)²+0.0433P] 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     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         2866
_refine_ls_number_parameters     247
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.0769
_refine_ls_R_factor_gt           0.0483
_refine_ls_wR_factor_ref         0.1105
_refine_ls_wR_factor_gt          0.0977
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_restrained_S_all      1.085
_refine_ls_shift/su_max          0.000
_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
B1 B 0.250000 0.833(2) 0.250000 0.005(2) Uani 1 2 d S TU P . .
B2 B 0.750000 0.845(2) 0.250000 0.009(3) Uani 1 2 d S TU P . .
B3 B 0.4509(9) 1.2190(16) 0.1481(4) 0.0081(19) Uani 1 1 d . . . . .
B4 B 0.5434(9) 0.4126(16) 0.3242(5) 0.0079(18) Uani 1 1 d . . . . .
B5 B 0.3442(9) -0.1939(16) 0.4499(4) 0.0066(18) Uani 1 1 d . U . . .
B6 B 0.8577(9) -0.2000(16) 0.4571(4) 0.0078(19) Uani 1 1 d . . . . .
Li1 Li 0.6422(12) 1.023(2) 0.1530(6) 0.007(3) Uani 1 1 d . . . . .
Li2 Li 0.2228(14) 0.020(2) 0.3419(6) 0.011(3) Uani 1 1 d . . . . .
Y1 Y 0.750000 1.41442(18) 0.250000 0.0063(2) Uani 1 2 d S T P . .
Y2 Y 0.64283(7) -0.35804(13) 0.55369(4) 0.00518(19) Uani 1 1 d . . . . .
Y3 Y 0.45569(7) 0.66088(13) 0.15005(4) 0.00583(19) Uani 1 1 d . . . . .
Y4 Y 0.84320(7) 0.35364(13) 0.45388(4) 0.00617(19) Uani 1 1 d . . . . .
Y5 Y 0.250000 1.40588(19) 0.250000 0.0106(3) Uani 1 2 d S T P . .
Rb1 Rb 0.55960(8) -0.08728(15) 0.36413(4) 0.0163(2) Uani 1 1 d . . . . .
O1 O 0.5598(5) 1.3319(9) 0.1403(3) 0.0064(11) Uani 1 1 d . . . . .
O2 O 0.9672(5) -0.3196(9) 0.4528(3) 0.0078(12) Uani 1 1 d . . . . .
O3 O 0.6696(5) 0.3435(9) 0.3567(3) 0.0120(13) Uani 1 1 d . . . . .
O4 O 0.2773(5) 0.7238(9) 0.1965(2) 0.0067(11) Uani 1 1 d . U . . .
O5 O 0.2309(5) -0.3090(9) 0.4479(3) 0.0074(12) Uani 1 1 d . . . . .
O6 O 0.3366(5) 1.3303(9) 0.1482(2) 0.0060(11) Uani 1 1 d . . . . .
O7 O 0.3461(5) 0.0092(9) 0.4304(3) 0.0083(12) Uani 1 1 d . . . . .
O8 O 0.8405(5) 0.0042(9) 0.4403(3) 0.0097(12) Uani 1 1 d . . . . .
O9 O 0.4341(5) 0.3635(10) 0.3469(3) 0.0131(13) Uani 1 1 d . . . . .
O10 O 0.750000 1.0592(13) 0.250000 0.0087(17) Uani 1 2 d S TU P . .
O11 O 0.4584(5) -0.3129(9) 0.4703(3) 0.0103(12) Uani 1 1 d . . . . .
O12 O 0.5270(6) 0.5155(10) 0.2616(3) 0.0155(13) Uani 1 1 d . . . . .
O13 O 0.6830(5) 0.7332(9) 0.1912(2) 0.0060(11) Uani 1 1 d . . . . .
O14 O 0.250000 1.0477(13) 0.250000 0.0160(19) Uani 1 2 d S T P . .
O15 O 0.7611(5) -0.3206(9) 0.4753(3) 0.0110(13) Uani 1 1 d . . . . .
O16 O 0.4585(5) 1.0101(10) 0.1583(3) 0.0134(13) 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
B1 O4 1.359(9) . ?
B1 O4 1.359(9) 2 ?
B1 O14 1.368(15) . ?
B1 Li2 2.252(15) 1_565 ?
B1 Li2 2.252(15) 2_565 ?
B1 Y5 2.726(14) 1_545 ?
B1 Rb1 3.468(2) 1_565 ?
B1 Rb1 3.468(2) 2_565 ?
B2 O10 1.367(16) . ?
B2 O13 1.385(9) . ?
B2 O13 1.385(9) 2_655 ?
B2 Li1 2.257(15) 2_655 ?
B2 Li1 2.257(15) . ?
B2 Y1 2.747(14) 1_545 ?
B2 Rb1 3.412(2) 2_665 ?
B2 Rb1 3.412(2) 1_565 ?
B3 O16 1.347(12) . ?
B3 O1 1.394(11) . ?
B3 O6 1.395(10) . ?
B3 Li2 2.273(17) 2_565 ?
B3 Li1 2.345(16) . ?
B3 Y3 2.819(10) 1_565 ?
B4 O12 1.370(10) . ?
B4 O9 1.375(10) . ?
B4 O3 1.383(10) . ?
B4 Y1 2.922(9) 1_545 ?
B4 Y5 3.043(9) 1_545 ?
B4 Rb1 3.278(10) . ?
B4 Rb1 3.280(10) 1_565 ?
B5 O7 1.353(11) . ?
B5 O11 1.386(10) . ?
B5 O5 1.390(10) . ?
B5 Li2 2.568(16) . ?
B5 Y2 2.864(10) 3_646 ?
B5 Rb1 3.236(9) . ?
B6 O8 1.345(11) . ?
B6 O15 1.393(10) . ?
B6 O2 1.402(10) . ?
B6 Li1 2.600(15) 2_645 ?
B6 Y4 2.851(10) 1_545 ?
B6 Rb1 3.263(9) . ?
Li1 O8 1.902(13) 2_665 ?
Li1 O16 1.961(13) . ?
Li1 O10 1.962(12) . ?
Li1 O13 2.002(15) . ?
Li1 O1 2.138(15) . ?
Li1 Y4 3.014(13) 2_665 ?
Li1 Y3 3.022(13) . ?
Li1 Y1 3.166(13) . ?
Li1 Rb1 3.314(12) 2_665 ?
Li2 O7 1.880(14) . ?
Li2 O16 1.904(15) 2_545 ?
Li2 O14 1.918(12) 1_545 ?
Li2 O4 2.037(16) 2_545 ?
Li2 O6 2.099(16) 2_545 ?
Li2 Y3 2.992(14) 2_545 ?
Li2 Y2 3.057(14) 3_656 ?
Li2 Y5 3.115(14) 1_545 ?
Li2 Rb1 3.515(14) . ?
Y1 O10 2.266(8) . ?
Y1 O13 2.355(5) 2_665 ?
Y1 O13 2.355(5) 1_565 ?
Y1 O12 2.498(6) 2_665 ?
Y1 O12 2.498(6) 1_565 ?
Y1 O3 2.509(5) 2_665 ?
Y1 O3 2.509(5) 1_565 ?
Y1 O1 2.581(5) . ?
Y1 O1 2.581(5) 2_655 ?
Y2 O11 2.204(5) . ?
Y2 O15 2.238(5) . ?
Y2 O7 2.246(6) 3_656 ?
Y2 O9 2.311(5) 3_656 ?
Y2 O11 2.344(6) 3_646 ?
Y2 O6 2.376(5) 4_666 ?
Y2 O5 2.508(6) 3_646 ?
Y2 Y2 3.6620(15) 3_646 ?
Y2 Y4 3.7262(11) 1_545 ?
Y2 Y5 3.7500(8) 3_666 ?
Y3 O16 2.233(6) . ?
Y3 O12 2.322(5) . ?
Y3 O4 2.328(5) . ?
Y3 O13 2.356(5) . ?
Y3 O5 2.368(5) 2_565 ?
Y3 O2 2.379(5) 2_665 ?
Y3 O1 2.398(6) 1_545 ?
Y3 O6 2.447(6) 1_545 ?
Y4 O8 2.244(6) . ?
Y4 O3 2.271(5) . ?
Y4 O5 2.290(5) 3_656 ?
Y4 O15 2.331(6) 1_565 ?
Y4 O2 2.338(5) 3_756 ?
Y4 O1 2.348(5) 2_645 ?
Y4 O2 2.461(6) 1_565 ?
Y4 Y4 3.8051(15) 3_766 ?
Y5 O14 2.285(9) . ?
Y5 O4 2.340(6) 2_565 ?
Y5 O4 2.340(6) 1_565 ?
Y5 O9 2.348(5) 2_565 ?
Y5 O9 2.348(6) 1_565 ?
Y5 O6 2.462(5) . ?
Y5 O6 2.462(5) 2 ?
Rb1 O7 2.944(5) . ?
Rb1 O11 2.962(5) . ?
Rb1 O8 2.993(5) . ?
Rb1 O3 3.000(6) . ?
Rb1 O15 3.009(6) . ?
Rb1 O9 3.144(6) . ?
Rb1 O12 3.204(6) 1_545 ?

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
O4 B1 O4 118.2(11) . 2 ?
O4 B1 O14 120.9(6) . . ?
O4 B1 O14 120.9(6) 2 . ?
O4 B1 Li2 175.3(5) . 1_565 ?
O4 B1 Li2 63.1(5) 2 1_565 ?
O14 B1 Li2 58.0(5) . 1_565 ?
O4 B1 Li2 63.1(5) . 2_565 ?
O4 B1 Li2 175.3(5) 2 2_565 ?
O14 B1 Li2 58.0(5) . 2_565 ?
Li2 B1 Li2 116.0(9) 1_565 2_565 ?
O4 B1 Y5 59.1(6) . 1_545 ?
O4 B1 Y5 59.1(6) 2 1_545 ?
O14 B1 Y5 180.0 . 1_545 ?
Li2 B1 Y5 122.0(5) 1_565 1_545 ?
Li2 B1 Y5 122.0(5) 2_565 1_545 ?
O4 B1 Rb1 103.1(2) . 1_565 ?
O4 B1 Rb1 85.7(2) 2 1_565 ?
O14 B1 Rb1 81.6(2) . 1_565 ?
Li2 B1 Rb1 72.3(4) 1_565 1_565 ?
Li2 B1 Rb1 98.6(4) 2_565 1_565 ?
Y5 B1 Rb1 98.4(2) 1_545 1_565 ?
O4 B1 Rb1 85.7(2) . 2_565 ?
O4 B1 Rb1 103.1(2) 2 2_565 ?
O14 B1 Rb1 81.6(2) . 2_565 ?
Li2 B1 Rb1 98.6(4) 1_565 2_565 ?
Li2 B1 Rb1 72.3(4) 2_565 2_565 ?
Y5 B1 Rb1 98.4(2) 1_545 2_565 ?
Rb1 B1 Rb1 163.2(4) 1_565 2_565 ?
O10 B2 O13 121.0(6) . . ?
O10 B2 O13 121.0(6) . 2_655 ?
O13 B2 O13 118.0(11) . 2_655 ?
O10 B2 Li1 59.7(5) . 2_655 ?
O13 B2 Li1 179.1(7) . 2_655 ?
O13 B2 Li1 61.3(5) 2_655 2_655 ?
O10 B2 Li1 59.7(5) . . ?
O13 B2 Li1 61.3(4) . . ?
O13 B2 Li1 179.1(7) 2_655 . ?
Li1 B2 Li1 119.4(9) 2_655 . ?
O10 B2 Y1 180.0 . 1_545 ?
O13 B2 Y1 59.0(6) . 1_545 ?
O13 B2 Y1 59.0(6) 2_655 1_545 ?
Li1 B2 Y1 120.3(5) 2_655 1_545 ?
Li1 B2 Y1 120.3(5) . 1_545 ?
O10 B2 Rb1 82.7(2) . 2_665 ?
O13 B2 Rb1 76.6(2) . 2_665 ?
O13 B2 Rb1 111.2(3) 2_655 2_665 ?
Li1 B2 Rb1 104.2(4) 2_655 2_665 ?
Li1 B2 Rb1 68.1(3) . 2_665 ?
Y1 B2 Rb1 97.3(2) 1_545 2_665 ?
O10 B2 Rb1 82.7(2) . 1_565 ?
O13 B2 Rb1 111.2(3) . 1_565 ?
O13 B2 Rb1 76.6(2) 2_655 1_565 ?
Li1 B2 Rb1 68.1(3) 2_655 1_565 ?
Li1 B2 Rb1 104.2(4) . 1_565 ?
Y1 B2 Rb1 97.3(2) 1_545 1_565 ?
Rb1 B2 Rb1 165.4(5) 2_665 1_565 ?
O16 B3 O1 120.6(8) . . ?
O16 B3 O6 121.3(8) . . ?
O1 B3 O6 118.0(8) . . ?
O16 B3 Li2 56.8(5) . 2_565 ?
O1 B3 Li2 177.0(8) . 2_565 ?
O6 B3 Li2 64.7(6) . 2_565 ?
O16 B3 Li1 56.7(5) . . ?
O1 B3 Li1 63.9(5) . . ?
O6 B3 Li1 177.1(7) . . ?
Li2 B3 Li1 113.5(6) 2_565 . ?
O16 B3 Y3 170.8(6) . 1_565 ?
O1 B3 Y3 58.2(4) . 1_565 ?
O6 B3 Y3 60.2(4) . 1_565 ?
Li2 B3 Y3 124.6(5) 2_565 1_565 ?
Li1 B3 Y3 121.3(5) . 1_565 ?
O12 B4 O9 119.1(7) . . ?
O12 B4 O3 116.6(7) . . ?
O9 B4 O3 123.9(8) . . ?
O12 B4 Y1 58.6(4) . 1_545 ?
O9 B4 Y1 163.6(6) . 1_545 ?
O3 B4 Y1 59.1(4) . 1_545 ?
O12 B4 Y5 72.7(4) . 1_545 ?
O9 B4 Y5 47.6(4) . 1_545 ?
O3 B4 Y5 160.6(6) . 1_545 ?
Y1 B4 Y5 123.4(3) 1_545 1_545 ?
O12 B4 Rb1 132.0(6) . . ?
O9 B4 Rb1 72.2(5) . . ?
O3 B4 Rb1 66.2(5) . . ?
Y1 B4 Rb1 97.2(3) 1_545 . ?
Y5 B4 Rb1 94.8(3) 1_545 . ?
O12 B4 Rb1 74.7(5) . 1_565 ?
O9 B4 Rb1 97.9(5) . 1_565 ?
O3 B4 Rb1 102.5(5) . 1_565 ?
Y1 B4 Rb1 96.8(3) 1_545 1_565 ?
Y5 B4 Rb1 96.4(3) 1_545 1_565 ?
Rb1 B4 Rb1 153.2(3) . 1_565 ?
O7 B5 O11 122.0(8) . . ?
O7 B5 O5 125.1(8) . . ?
O11 B5 O5 112.8(8) . . ?
O7 B5 Li2 45.3(5) . . ?
O11 B5 Li2 137.2(6) . . ?
O5 B5 Li2 91.4(6) . . ?
O7 B5 Y2 160.8(6) . 3_646 ?
O11 B5 Y2 54.3(4) . 3_646 ?
O5 B5 Y2 61.2(4) . 3_646 ?
Li2 B5 Y2 121.8(5) . 3_646 ?
O7 B5 Rb1 65.5(4) . . ?
O11 B5 Rb1 66.2(4) . . ?
O5 B5 Rb1 143.8(5) . . ?
Li2 B5 Rb1 73.5(4) . . ?
Y2 B5 Rb1 98.8(3) 3_646 . ?
O8 B6 O15 122.6(7) . . ?
O8 B6 O2 124.8(8) . . ?
O15 B6 O2 112.3(8) . . ?
O8 B6 Li1 44.9(5) . 2_645 ?
O15 B6 Li1 132.8(6) . 2_645 ?
O2 B6 Li1 93.8(5) . 2_645 ?
O8 B6 Y4 163.6(6) . 1_545 ?
O15 B6 Y4 54.3(4) . 1_545 ?
O2 B6 Y4 59.7(4) . 1_545 ?
Li1 B6 Y4 122.7(4) 2_645 1_545 ?
O8 B6 Rb1 66.5(4) . . ?
O15 B6 Rb1 67.1(4) . . ?
O2 B6 Rb1 140.0(5) . . ?
Li1 B6 Rb1 67.8(3) 2_645 . ?
Y4 B6 Rb1 99.8(3) 1_545 . ?
O8 Li1 O16 113.3(6) 2_665 . ?
O8 Li1 O10 140.7(7) 2_665 . ?
O16 Li1 O10 106.0(6) . . ?
O8 Li1 O13 103.8(6) 2_665 . ?
O16 Li1 O13 93.2(6) . . ?
O10 Li1 O13 74.3(5) . . ?
O8 Li1 O1 94.9(6) 2_665 . ?
O16 Li1 O1 70.9(5) . . ?
O10 Li1 O1 96.8(6) . . ?
O13 Li1 O1 159.3(7) . . ?
O8 Li1 B2 129.3(7) 2_665 . ?
O16 Li1 B2 102.3(5) . . ?
O10 Li1 B2 37.0(4) . . ?
O13 Li1 B2 37.3(4) . . ?
O1 Li1 B2 131.3(7) . . ?
O8 Li1 B3 107.1(6) 2_665 . ?
O16 Li1 B3 35.0(4) . . ?
O10 Li1 B3 104.2(6) . . ?
O13 Li1 B3 127.1(6) . . ?
O1 Li1 B3 35.9(3) . . ?
B2 Li1 B3 122.4(6) . . ?
O8 Li1 B6 30.0(3) 2_665 2_665 ?
O16 Li1 B6 103.8(6) . 2_665 ?
O10 Li1 B6 138.7(7) . 2_665 ?
O13 Li1 B6 76.1(5) . 2_665 ?
O1 Li1 B6 119.8(6) . 2_665 ?
B2 Li1 B6 108.7(6) . 2_665 ?
B3 Li1 B6 116.6(6) . 2_665 ?
O8 Li1 Y4 48.1(3) 2_665 2_665 ?
O16 Li1 Y4 107.5(5) . 2_665 ?
O10 Li1 Y4 118.6(6) . 2_665 ?
O13 Li1 Y4 149.8(6) . 2_665 ?
O1 Li1 Y4 50.8(3) . 2_665 ?
B2 Li1 Y4 147.0(6) . 2_665 ?
B3 Li1 Y4 78.5(4) . 2_665 ?
B6 Li1 Y4 77.7(4) 2_665 2_665 ?
O8 Li1 Y3 99.2(5) 2_665 . ?
O16 Li1 Y3 47.6(3) . . ?
O10 Li1 Y3 108.2(5) . . ?
O13 Li1 Y3 51.1(3) . . ?
O1 Li1 Y3 117.5(5) . . ?
B2 Li1 Y3 78.9(5) . . ?
B3 Li1 Y3 82.1(4) . . ?
B6 Li1 Y3 73.0(4) 2_665 . ?
Y4 Li1 Y3 132.4(4) 2_665 . ?
O8 Li1 Y1 121.7(6) 2_665 . ?
O16 Li1 Y1 101.6(5) . . ?
O10 Li1 Y1 45.3(4) . . ?
O13 Li1 Y1 119.6(5) . . ?
O1 Li1 Y1 54.1(3) . . ?
B2 Li1 Y1 82.3(5) . . ?
B3 Li1 Y1 76.8(4) . . ?
B6 Li1 Y1 149.1(5) 2_665 . ?
Y4 Li1 Y1 78.2(3) 2_665 . ?
Y3 Li1 Y1 137.8(4) . . ?
O8 Li1 Rb1 63.4(4) 2_665 2_665 ?
O16 Li1 Rb1 164.9(7) . 2_665 ?
O10 Li1 Rb1 78.9(4) . 2_665 ?
O13 Li1 Rb1 74.2(4) . 2_665 ?
O1 Li1 Rb1 123.3(5) . 2_665 ?
B2 Li1 Rb1 72.7(3) . 2_665 ?
B3 Li1 Rb1 158.7(6) . 2_665 ?
B6 Li1 Rb1 65.7(3) 2_665 2_665 ?
Y4 Li1 Rb1 81.5(3) 2_665 2_665 ?
Y3 Li1 Rb1 117.4(4) . 2_665 ?
Y1 Li1 Rb1 91.9(3) . 2_665 ?
O7 Li2 O16 116.3(7) . 2_545 ?
O7 Li2 O14 130.1(8) . 1_545 ?
O16 Li2 O14 113.6(7) 2_545 1_545 ?
O7 Li2 O4 104.1(7) . 2_545 ?
O16 Li2 O4 93.8(6) 2_545 2_545 ?
O14 Li2 O4 73.7(5) 1_545 2_545 ?
O7 Li2 O6 95.6(6) . 2_545 ?
O16 Li2 O6 73.2(5) 2_545 2_545 ?
O14 Li2 O6 97.1(6) 1_545 2_545 ?
O4 Li2 O6 159.8(8) 2_545 2_545 ?
O7 Li2 B1 121.7(7) . 1_545 ?
O16 Li2 B1 108.7(6) 2_545 1_545 ?
O14 Li2 B1 37.2(4) 1_545 1_545 ?
O4 Li2 B1 36.5(4) 2_545 1_545 ?
O6 Li2 B1 132.7(7) 2_545 1_545 ?
O7 Li2 B3 108.2(6) . 2_545 ?
O16 Li2 B3 36.3(4) 2_545 2_545 ?
O14 Li2 B3 110.8(7) 1_545 2_545 ?
O4 Li2 B3 129.0(7) 2_545 2_545 ?
O6 Li2 B3 36.9(4) 2_545 2_545 ?
B1 Li2 B3 129.9(7) 1_545 2_545 ?
O7 Li2 B5 30.8(3) . . ?
O16 Li2 B5 105.1(6) 2_545 . ?
O14 Li2 B5 131.9(7) 1_545 . ?
O4 Li2 B5 76.5(5) 2_545 . ?
O6 Li2 B5 121.3(6) 2_545 . ?
B1 Li2 B5 104.2(6) 1_545 . ?
B3 Li2 B5 117.3(6) 2_545 . ?
O7 Li2 Y3 102.1(5) . 2_545 ?
O16 Li2 Y3 48.2(4) 2_545 2_545 ?
O14 Li2 Y3 111.9(6) 1_545 2_545 ?
O4 Li2 Y3 50.9(3) 2_545 2_545 ?
O6 Li2 Y3 120.8(6) 2_545 2_545 ?
B1 Li2 Y3 81.5(5) 1_545 2_545 ?
B3 Li2 Y3 83.9(5) 2_545 2_545 ?
B5 Li2 Y3 74.3(4) . 2_545 ?
O7 Li2 Y2 47.0(4) . 3_656 ?
O16 Li2 Y2 108.0(6) 2_545 3_656 ?
O14 Li2 Y2 114.5(6) 1_545 3_656 ?
O4 Li2 Y2 149.3(7) 2_545 3_656 ?
O6 Li2 Y2 50.8(3) 2_545 3_656 ?
B1 Li2 Y2 141.5(6) 1_545 3_656 ?
B3 Li2 Y2 77.7(5) 2_545 3_656 ?
B5 Li2 Y2 77.1(4) . 3_656 ?
Y3 Li2 Y2 133.5(4) 2_545 3_656 ?
O7 Li2 Y5 115.1(6) . 1_545 ?
O16 Li2 Y5 105.7(6) 2_545 1_545 ?
O14 Li2 Y5 46.9(4) 1_545 1_545 ?
O4 Li2 Y5 120.5(5) 2_545 1_545 ?
O6 Li2 Y5 52.0(3) 2_545 1_545 ?
B1 Li2 Y5 84.2(5) 1_545 1_545 ?
B3 Li2 Y5 79.0(5) 2_545 1_545 ?
B5 Li2 Y5 143.3(6) . 1_545 ?
Y3 Li2 Y5 142.3(5) 2_545 1_545 ?
Y2 Li2 Y5 74.8(3) 3_656 1_545 ?
O7 Li2 Rb1 56.9(4) . . ?
O16 Li2 Rb1 165.1(7) 2_545 . ?
O14 Li2 Rb1 74.9(4) 1_545 . ?
O4 Li2 Rb1 76.5(4) 2_545 . ?
O6 Li2 Rb1 119.1(6) 2_545 . ?
B1 Li2 Rb1 70.1(3) 1_545 . ?
B3 Li2 Rb1 154.5(6) 2_545 . ?
B5 Li2 Rb1 62.0(3) . . ?
Y3 Li2 Rb1 117.9(4) 2_545 . ?
Y2 Li2 Rb1 77.5(3) 3_656 . ?
Y5 Li2 Rb1 89.0(3) 1_545 . ?
O10 Y1 O13 149.72(12) . 2_665 ?
O10 Y1 O13 149.72(12) . 1_565 ?
O13 Y1 O13 60.6(2) 2_665 1_565 ?
O10 Y1 O12 104.97(15) . 2_665 ?
O13 Y1 O12 69.95(19) 2_665 2_665 ?
O13 Y1 O12 84.08(19) 1_565 2_665 ?
O10 Y1 O12 104.97(15) . 1_565 ?
O13 Y1 O12 84.08(19) 2_665 1_565 ?
O13 Y1 O12 69.95(19) 1_565 1_565 ?
O12 Y1 O12 150.1(3) 2_665 1_565 ?
O10 Y1 O3 79.61(14) . 2_665 ?
O13 Y1 O3 116.52(18) 2_665 2_665 ?
O13 Y1 O3 82.24(18) 1_565 2_665 ?
O12 Y1 O3 55.78(17) 2_665 2_665 ?
O12 Y1 O3 130.96(17) 1_565 2_665 ?
O10 Y1 O3 79.61(14) . 1_565 ?
O13 Y1 O3 82.24(18) 2_665 1_565 ?
O13 Y1 O3 116.52(18) 1_565 1_565 ?
O12 Y1 O3 130.96(17) 2_665 1_565 ?
O12 Y1 O3 55.78(17) 1_565 1_565 ?
O3 Y1 O3 159.2(3) 2_665 1_565 ?
O10 Y1 O1 78.23(13) . . ?
O13 Y1 O1 130.79(18) 2_665 . ?
O13 Y1 O1 72.48(17) 1_565 . ?
O12 Y1 O1 120.82(16) 2_665 . ?
O12 Y1 O1 65.98(17) 1_565 . ?
O3 Y1 O1 67.49(17) 2_665 . ?
O3 Y1 O1 108.02(17) 1_565 . ?
O10 Y1 O1 78.23(12) . 2_655 ?
O13 Y1 O1 72.48(17) 2_665 2_655 ?
O13 Y1 O1 130.79(18) 1_565 2_655 ?
O12 Y1 O1 65.98(17) 2_665 2_655 ?
O12 Y1 O1 120.82(16) 1_565 2_655 ?
O3 Y1 O1 108.02(17) 2_665 2_655 ?
O3 Y1 O1 67.49(17) 1_565 2_655 ?
O1 Y1 O1 156.5(3) . 2_655 ?
O10 Y1 B2 180.0 . 1_565 ?
O13 Y1 B2 30.28(12) 2_665 1_565 ?
O13 Y1 B2 30.28(12) 1_565 1_565 ?
O12 Y1 B2 75.03(15) 2_665 1_565 ?
O12 Y1 B2 75.03(15) 1_565 1_565 ?
O3 Y1 B2 100.39(14) 2_665 1_565 ?
O3 Y1 B2 100.39(14) 1_565 1_565 ?
O1 Y1 B2 101.77(13) . 1_565 ?
O1 Y1 B2 101.77(13) 2_655 1_565 ?
O10 Y1 B4 89.8(2) . 1_565 ?
O13 Y1 B4 85.5(2) 2_665 1_565 ?
O13 Y1 B4 94.9(2) 1_565 1_565 ?
O12 Y1 B4 152.3(2) 2_665 1_565 ?
O12 Y1 B4 27.9(2) 1_565 1_565 ?
O3 Y1 B4 151.6(2) 2_665 1_565 ?
O3 Y1 B4 28.2(2) 1_565 1_565 ?
O1 Y1 B4 84.7(2) . 1_565 ?
O1 Y1 B4 95.2(2) 2_655 1_565 ?
B2 Y1 B4 90.2(2) 1_565 1_565 ?
O10 Y1 B4 89.8(2) . 2_665 ?
O13 Y1 B4 94.9(2) 2_665 2_665 ?
O13 Y1 B4 85.5(2) 1_565 2_665 ?
O12 Y1 B4 27.9(2) 2_665 2_665 ?
O12 Y1 B4 152.3(2) 1_565 2_665 ?
O3 Y1 B4 28.2(2) 2_665 2_665 ?
O3 Y1 B4 151.6(2) 1_565 2_665 ?
O1 Y1 B4 95.2(2) . 2_665 ?
O1 Y1 B4 84.7(2) 2_655 2_665 ?
B2 Y1 B4 90.2(2) 1_565 2_665 ?
B4 Y1 B4 179.5(4) 1_565 2_665 ?
O11 Y2 O15 90.5(2) . . ?
O11 Y2 O7 88.7(2) . 3_656 ?
O15 Y2 O7 88.5(2) . 3_656 ?
O11 Y2 O9 101.5(2) . 3_656 ?
O15 Y2 O9 166.1(2) . 3_656 ?
O7 Y2 O9 85.0(2) 3_656 3_656 ?
O11 Y2 O11 72.8(2) . 3_646 ?
O15 Y2 O11 105.1(2) . 3_646 ?
O7 Y2 O11 156.84(19) 3_656 3_646 ?
O9 Y2 O11 85.2(2) 3_656 3_646 ?
O11 Y2 O6 167.9(2) . 4_666 ?
O15 Y2 O6 91.01(19) . 4_666 ?
O7 Y2 O6 79.31(19) 3_656 4_666 ?
O9 Y2 O6 75.75(19) 3_656 4_666 ?
O11 Y2 O6 118.29(19) 3_646 4_666 ?
O11 Y2 O5 117.69(19) . 3_646 ?
O15 Y2 O5 71.94(19) . 3_646 ?
O7 Y2 O5 146.38(18) 3_656 3_646 ?
O9 Y2 O5 107.59(19) 3_656 3_646 ?
O11 Y2 O5 56.78(18) 3_646 3_646 ?
O6 Y2 O5 74.15(18) 4_666 3_646 ?
O11 Y2 B5 98.6(2) . 3_646 ?
O15 Y2 B5 92.9(2) . 3_646 ?
O7 Y2 B5 172.5(2) 3_656 3_646 ?
O9 Y2 B5 92.0(2) 3_656 3_646 ?
O11 Y2 B5 28.7(2) 3_646 3_646 ?
O6 Y2 B5 93.3(2) 4_666 3_646 ?
O5 Y2 B5 29.0(2) 3_646 3_646 ?
O11 Y2 Li2 124.7(3) . 3_656 ?
O15 Y2 Li2 98.5(3) . 3_656 ?
O7 Y2 Li2 37.8(3) 3_656 3_656 ?
O9 Y2 Li2 69.0(3) 3_656 3_656 ?
O11 Y2 Li2 150.6(3) 3_646 3_656 ?
O6 Y2 Li2 43.2(3) 4_666 3_656 ?
O5 Y2 Li2 117.0(3) 3_646 3_656 ?
B5 Y2 Li2 134.8(3) 3_646 3_656 ?
O11 Y2 Y2 37.69(15) . 3_646 ?
O15 Y2 Y2 99.95(14) . 3_646 ?
O7 Y2 Y2 125.11(14) 3_656 3_646 ?
O9 Y2 Y2 93.84(15) 3_656 3_646 ?
O11 Y2 Y2 35.09(13) 3_646 3_646 ?
O6 Y2 Y2 153.10(14) 4_666 3_646 ?
O5 Y2 Y2 85.93(12) 3_646 3_646 ?
B5 Y2 Y2 61.89(18) 3_646 3_646 ?
Li2 Y2 Y2 154.2(3) 3_656 3_646 ?
O11 Y2 Y4 100.24(14) . 1_545 ?
O15 Y2 Y4 36.20(15) . 1_545 ?
O7 Y2 Y4 123.19(13) 3_656 1_545 ?
O9 Y2 Y4 144.53(15) 3_656 1_545 ?
O11 Y2 Y4 74.96(13) 3_646 1_545 ?
O6 Y2 Y4 88.02(13) 4_666 1_545 ?
O5 Y2 Y4 36.99(11) 3_646 1_545 ?
B5 Y2 Y4 57.10(17) 3_646 1_545 ?
Li2 Y2 Y4 118.7(3) 3_656 1_545 ?
Y2 Y2 Y4 86.61(3) 3_646 1_545 ?
O11 Y2 Y5 138.26(14) . 3_666 ?
O15 Y2 Y5 130.75(14) . 3_666 ?
O7 Y2 Y5 86.90(13) 3_656 3_666 ?
O9 Y2 Y5 36.73(14) 3_656 3_666 ?
O11 Y2 Y5 97.59(13) 3_646 3_666 ?
O6 Y2 Y5 40.03(12) 4_666 3_666 ?
O5 Y2 Y5 85.90(11) 3_646 3_666 ?
B5 Y2 Y5 86.63(17) 3_646 3_666 ?
Li2 Y2 Y5 53.3(2) 3_656 3_666 ?
Y2 Y2 Y5 122.25(3) 3_646 3_666 ?
Y4 Y2 Y5 116.66(3) 1_545 3_666 ?
O16 Y3 O12 109.5(2) . . ?
O16 Y3 O4 78.2(2) . . ?
O12 Y3 O4 77.72(19) . . ?
O16 Y3 O13 77.69(19) . . ?
O12 Y3 O13 73.04(19) . . ?
O4 Y3 O13 132.75(17) . . ?
O16 Y3 O5 88.3(2) . 2_565 ?
O12 Y3 O5 142.69(19) . 2_565 ?
O4 Y3 O5 74.24(17) . 2_565 ?
O13 Y3 O5 144.10(17) . 2_565 ?
O16 Y3 O2 90.52(19) . 2_665 ?
O12 Y3 O2 137.08(19) . 2_665 ?
O4 Y3 O2 144.85(18) . 2_665 ?
O13 Y3 O2 74.99(17) . 2_665 ?
O5 Y3 O2 72.22(17) 2_565 2_665 ?
O16 Y3 O1 151.82(19) . 1_545 ?
O12 Y3 O1 71.75(19) . 1_545 ?
O4 Y3 O1 127.89(19) . 1_545 ?
O13 Y3 O1 75.92(18) . 1_545 ?
O5 Y3 O1 107.60(18) 2_565 1_545 ?
O2 Y3 O1 73.27(18) 2_665 1_545 ?
O16 Y3 O6 149.04(19) . 1_545 ?
O12 Y3 O6 72.86(19) . 1_545 ?
O4 Y3 O6 72.13(19) . 1_545 ?
O13 Y3 O6 129.89(19) . 1_545 ?
O5 Y3 O6 75.43(18) 2_565 1_545 ?
O2 Y3 O6 108.68(18) 2_665 1_545 ?
O1 Y3 O6 59.11(19) 1_545 1_545 ?
O16 Y3 B3 176.5(2) . 1_545 ?
O12 Y3 B3 67.3(2) . 1_545 ?
O4 Y3 B3 99.5(2) . 1_545 ?
O13 Y3 B3 102.3(2) . 1_545 ?
O5 Y3 B3 93.6(2) 2_565 1_545 ?
O2 Y3 B3 92.8(2) 2_665 1_545 ?
O1 Y3 B3 29.6(2) 1_545 1_545 ?
O6 Y3 B3 29.7(2) 1_545 1_545 ?
O16 Y3 Li2 39.5(3) . 2_565 ?
O12 Y3 Li2 107.8(3) . 2_565 ?
O4 Y3 Li2 42.8(3) . 2_565 ?
O13 Y3 Li2 115.1(3) . 2_565 ?
O5 Y3 Li2 65.6(3) 2_565 2_565 ?
O2 Y3 Li2 111.4(3) 2_665 2_565 ?
O1 Y3 Li2 168.6(3) 1_545 2_565 ?
O6 Y3 Li2 109.6(3) 1_545 2_565 ?
B3 Y3 Li2 139.3(3) 1_545 2_565 ?
O16 Y3 Li1 40.4(3) . . ?
O12 Y3 Li1 104.0(3) . . ?
O4 Y3 Li1 116.5(3) . . ?
O13 Y3 Li1 41.5(3) . . ?
O5 Y3 Li1 110.3(3) 2_565 . ?
O2 Y3 Li1 67.1(3) 2_665 . ?
O1 Y3 Li1 111.4(3) 1_545 . ?
O6 Y3 Li1 170.4(3) 1_545 . ?
B3 Y3 Li1 140.8(3) 1_545 . ?
Li2 Y3 Li1 79.9(4) 2_565 . ?
O16 Y3 Y1 114.02(14) . 1_545 ?
O12 Y3 Y1 44.28(14) . 1_545 ?
O4 Y3 Y1 121.95(12) . 1_545 ?
O13 Y3 Y1 40.85(13) . 1_545 ?
O5 Y3 Y1 153.78(13) 2_565 1_545 ?
O2 Y3 Y1 93.10(13) 2_665 1_545 ?
O1 Y3 Y1 46.42(12) 1_545 1_545 ?
O6 Y3 Y1 89.59(12) 1_545 1_545 ?
B3 Y3 Y1 64.91(19) 1_545 1_545 ?
Li2 Y3 Y1 140.6(2) 2_565 1_545 ?
Li1 Y3 Y1 82.2(2) . 1_545 ?
O8 Y4 O3 83.6(2) . . ?
O8 Y4 O5 88.93(19) . 3_656 ?
O3 Y4 O5 109.54(19) . 3_656 ?
O8 Y4 O15 156.01(19) . 1_565 ?
O3 Y4 O15 85.8(2) . 1_565 ?
O5 Y4 O15 74.47(19) 3_656 1_565 ?
O8 Y4 O2 89.03(19) . 3_756 ?
O3 Y4 O2 171.5(2) . 3_756 ?
O5 Y4 O2 74.39(18) 3_656 3_756 ?
O15 Y4 O2 102.62(19) 1_565 3_756 ?
O8 Y4 O1 80.86(19) . 2_645 ?
O3 Y4 O1 75.48(19) . 2_645 ?
O5 Y4 O1 168.1(2) 3_656 2_645 ?
O15 Y4 O1 117.06(19) 1_565 2_645 ?
O2 Y4 O1 99.25(18) 3_756 2_645 ?
O8 Y4 O2 146.11(19) . 1_565 ?
O3 Y4 O2 109.00(19) . 1_565 ?
O5 Y4 O2 114.32(18) 3_656 1_565 ?
O15 Y4 O2 57.88(19) 1_565 1_565 ?
O2 Y4 O2 75.1(2) 3_756 1_565 ?
O1 Y4 O2 72.65(18) 2_645 1_565 ?
O8 Y4 B6 173.4(2) . 1_565 ?
O3 Y4 B6 94.2(2) . 1_565 ?
O5 Y4 B6 97.6(2) 3_656 1_565 ?
O15 Y4 B6 29.0(2) 1_565 1_565 ?
O2 Y4 B6 92.6(2) 3_756 1_565 ?
O1 Y4 B6 92.6(2) 2_645 1_565 ?
O2 Y4 B6 29.4(2) 1_565 1_565 ?
O8 Y4 Li1 39.1(3) . 2_645 ?
O3 Y4 Li1 64.4(3) . 2_645 ?
O5 Y4 Li1 126.7(3) 3_656 2_645 ?
O15 Y4 Li1 147.1(3) 1_565 2_645 ?
O2 Y4 Li1 107.2(3) 3_756 2_645 ?
O1 Y4 Li1 44.9(3) 2_645 2_645 ?
O2 Y4 Li1 117.4(3) 1_565 2_645 ?
B6 Y4 Li1 134.5(3) 1_565 2_645 ?
O8 Y4 Y2 124.22(13) . 1_565 ?
O3 Y4 Y2 91.19(14) . 1_565 ?
O5 Y4 Y2 41.22(14) 3_656 1_565 ?
O15 Y4 Y2 34.55(13) 1_565 1_565 ?
O2 Y4 Y2 96.42(13) 3_756 1_565 ?
O1 Y4 Y2 150.63(14) 2_645 1_565 ?
O2 Y4 Y2 87.75(12) 1_565 1_565 ?
B6 Y4 Y2 61.92(17) 1_565 1_565 ?
Li1 Y4 Y2 148.8(2) 2_645 1_565 ?
O8 Y4 Y3 95.14(13) . 4_666 ?
O3 Y4 Y3 146.84(14) . 4_666 ?
O5 Y4 Y3 37.36(13) 3_656 4_666 ?
O15 Y4 Y3 82.23(13) 1_565 4_666 ?
O2 Y4 Y3 37.97(12) 3_756 4_666 ?
O1 Y4 Y3 137.22(13) 2_645 4_666 ?
O2 Y4 Y3 90.40(12) 1_565 4_666 ?
B6 Y4 Y3 90.06(17) 1_565 4_666 ?
Li1 Y4 Y3 130.3(2) 2_645 4_666 ?
Y2 Y4 Y3 62.15(2) 1_565 4_666 ?
O8 Y4 Y4 121.77(14) . 3_766 ?
O3 Y4 Y4 144.90(15) . 3_766 ?
O5 Y4 Y4 95.80(13) 3_656 3_766 ?
O15 Y4 Y4 77.90(14) 1_565 3_766 ?
O2 Y4 Y4 38.68(14) 3_756 3_766 ?
O1 Y4 Y4 84.60(13) 2_645 3_766 ?
O2 Y4 Y4 36.42(12) 1_565 3_766 ?
B6 Y4 Y4 57.65(18) 1_565 3_766 ?
Li1 Y4 Y4 118.7(2) 2_645 3_766 ?
Y2 Y4 Y4 92.48(3) 1_565 3_766 ?
Y3 Y4 Y4 61.33(2) 4_666 3_766 ?
O14 Y5 O4 150.12(12) . 2_565 ?
O14 Y5 O4 150.12(12) . 1_565 ?
O4 Y5 O4 59.8(2) 2_565 1_565 ?
O14 Y5 O9 83.38(15) . 2_565 ?
O4 Y5 O9 107.16(19) 2_565 2_565 ?
O4 Y5 O9 84.53(19) 1_565 2_565 ?
O14 Y5 O9 83.38(15) . 1_565 ?
O4 Y5 O9 84.53(19) 2_565 1_565 ?
O4 Y5 O9 107.16(19) 1_565 1_565 ?
O9 Y5 O9 166.8(3) 2_565 1_565 ?
O14 Y5 O6 78.70(13) . . ?
O4 Y5 O6 130.85(18) 2_565 . ?
O4 Y5 O6 71.67(18) 1_565 . ?
O9 Y5 O6 73.45(18) 2_565 . ?
O9 Y5 O6 103.87(18) 1_565 . ?
O14 Y5 O6 78.70(13) . 2 ?
O4 Y5 O6 71.67(18) 2_565 2 ?
O4 Y5 O6 130.85(18) 1_565 2 ?
O9 Y5 O6 103.87(18) 2_565 2 ?
O9 Y5 O6 73.45(18) 1_565 2 ?
O6 Y5 O6 157.4(3) . 2 ?
O14 Y5 B1 180.0 . 1_565 ?
O4 Y5 B1 29.88(12) 2_565 1_565 ?
O4 Y5 B1 29.88(12) 1_565 1_565 ?
O9 Y5 B1 96.62(15) 2_565 1_565 ?
O9 Y5 B1 96.62(15) 1_565 1_565 ?
O6 Y5 B1 101.30(13) . 1_565 ?
O6 Y5 B1 101.30(13) 2 1_565 ?
O14 Y5 B4 90.80(19) . 1_565 ?
O4 Y5 B4 90.0(2) 2_565 1_565 ?
O4 Y5 B4 88.6(2) 1_565 1_565 ?
O9 Y5 B4 154.8(2) 2_565 1_565 ?
O9 Y5 B4 25.6(2) 1_565 1_565 ?
O6 Y5 B4 81.4(2) . 1_565 ?
O6 Y5 B4 99.0(2) 2 1_565 ?
B1 Y5 B4 89.20(19) 1_565 1_565 ?
O14 Y5 B4 90.80(19) . 2_565 ?
O4 Y5 B4 88.6(2) 2_565 2_565 ?
O4 Y5 B4 90.0(2) 1_565 2_565 ?
O9 Y5 B4 25.6(2) 2_565 2_565 ?
O9 Y5 B4 154.8(2) 1_565 2_565 ?
O6 Y5 B4 99.0(2) . 2_565 ?
O6 Y5 B4 81.4(2) 2 2_565 ?
B1 Y5 B4 89.20(19) 1_565 2_565 ?
B4 Y5 B4 178.4(4) 1_565 2_565 ?
O14 Y5 Li2 37.8(2) . 2_565 ?
O4 Y5 Li2 171.5(3) 2_565 2_565 ?
O4 Y5 Li2 112.4(3) 1_565 2_565 ?
O9 Y5 Li2 67.5(3) 2_565 2_565 ?
O9 Y5 Li2 101.6(3) 1_565 2_565 ?
O6 Y5 Li2 42.2(3) . 2_565 ?
O6 Y5 Li2 115.5(3) 2 2_565 ?
B1 Y5 Li2 142.2(2) 1_565 2_565 ?
B4 Y5 Li2 93.1(3) 1_565 2_565 ?
B4 Y5 Li2 88.2(3) 2_565 2_565 ?
O14 Y5 Li2 37.8(2) . 1_565 ?
O4 Y5 Li2 112.4(3) 2_565 1_565 ?
O4 Y5 Li2 171.5(3) 1_565 1_565 ?
O9 Y5 Li2 101.6(3) 2_565 1_565 ?
O9 Y5 Li2 67.5(3) 1_565 1_565 ?
O6 Y5 Li2 115.5(3) . 1_565 ?
O6 Y5 Li2 42.2(3) 2 1_565 ?
B1 Y5 Li2 142.2(2) 1_565 1_565 ?
B4 Y5 Li2 88.2(3) 1_565 1_565 ?
B4 Y5 Li2 93.1(3) 2_565 1_565 ?
Li2 Y5 Li2 75.6(5) 2_565 1_565 ?
O7 Rb1 O11 47.88(15) . . ?
O7 Rb1 O8 120.10(15) . . ?
O11 Rb1 O8 103.30(15) . . ?
O7 Rb1 O3 100.28(15) . . ?
O11 Rb1 O3 134.01(15) . . ?
O8 Rb1 O3 60.30(16) . . ?
O7 Rb1 O15 104.54(14) . . ?
O11 Rb1 O15 63.80(15) . . ?
O8 Rb1 O15 47.19(15) . . ?
O3 Rb1 O15 106.44(15) . . ?
O7 Rb1 O9 60.65(15) . . ?
O11 Rb1 O9 107.59(15) . . ?
O8 Rb1 O9 101.85(16) . . ?
O3 Rb1 O9 46.59(15) . . ?
O15 Rb1 O9 136.48(15) . . ?
O7 Rb1 O12 118.63(15) . 1_545 ?
O11 Rb1 O12 93.67(15) . 1_545 ?
O8 Rb1 O12 113.45(15) . 1_545 ?
O3 Rb1 O12 132.22(15) . 1_545 ?
O15 Rb1 O12 90.37(15) . 1_545 ?
O9 Rb1 O12 133.10(15) . 1_545 ?
O7 Rb1 B5 24.7(2) . . ?
O11 Rb1 B5 25.35(19) . . ?
O8 Rb1 B5 120.72(18) . . ?
O3 Rb1 B5 123.3(2) . . ?
O15 Rb1 B5 88.21(19) . . ?
O9 Rb1 B5 85.3(2) . . ?
O12 Rb1 B5 101.0(2) 1_545 . ?
O7 Rb1 B6 121.76(18) . . ?
O11 Rb1 B6 88.02(19) . . ?
O8 Rb1 B6 24.3(2) . . ?
O3 Rb1 B6 84.5(2) . . ?
O15 Rb1 B6 25.25(19) . . ?
O9 Rb1 B6 125.1(2) . . ?
O12 Rb1 B6 96.2(2) 1_545 . ?
B5 Rb1 B6 111.0(2) . . ?
O7 Rb1 B4 84.61(19) . . ?
O11 Rb1 B4 129.58(19) . . ?
O8 Rb1 B4 85.0(2) . . ?
O3 Rb1 B4 24.94(18) . . ?
O15 Rb1 B4 129.64(19) . . ?
O9 Rb1 B4 24.61(18) . . ?
O12 Rb1 B4 128.87(19) 1_545 . ?
B5 Rb1 B4 109.3(2) . . ?
B6 Rb1 B4 109.3(2) . . ?
O7 Rb1 B4 108.23(19) . 1_545 ?
O11 Rb1 B4 72.03(19) . 1_545 ?
O8 Rb1 B4 106.97(19) . 1_545 ?
O3 Rb1 B4 151.13(19) . 1_545 ?
O15 Rb1 B4 71.07(19) . 1_545 ?
O9 Rb1 B4 150.47(19) . 1_545 ?
O12 Rb1 B4 24.36(18) 1_545 1_545 ?
B5 Rb1 B4 85.5(2) . 1_545 ?
B6 Rb1 B4 84.4(2) . 1_545 ?
B4 Rb1 B4 153.2(3) . 1_545 ?
O7 Rb1 Li1 148.4(3) . 2_645 ?
O11 Rb1 Li1 134.6(2) . 2_645 ?
O8 Rb1 Li1 34.6(2) . 2_645 ?
O3 Rb1 Li1 54.1(3) . 2_645 ?
O15 Rb1 Li1 71.2(2) . 2_645 ?
O9 Rb1 Li1 100.1(3) . 2_645 ?
O12 Rb1 Li1 92.9(3) 1_545 2_645 ?
B5 Rb1 Li1 155.3(3) . 2_645 ?
B6 Rb1 Li1 46.6(3) . 2_645 ?
B4 Rb1 Li1 76.0(3) . 2_645 ?
B4 Rb1 Li1 100.0(3) 1_545 2_645 ?
B3 O1 Li1 80.2(6) . . ?
B3 O1 Y4 131.1(5) . 2_665 ?
Li1 O1 Y4 84.3(4) . 2_665 ?
B3 O1 Y3 92.2(5) . 1_565 ?
Li1 O1 Y3 167.3(4) . 1_565 ?
Y4 O1 Y3 108.3(2) 2_665 1_565 ?
B3 O1 Y1 119.3(4) . . ?
Li1 O1 Y1 83.7(4) . . ?
Y4 O1 Y1 104.50(19) 2_665 . ?
Y3 O1 Y1 91.30(18) 1_565 . ?
B6 O2 Y4 123.0(5) . 3_756 ?
B6 O2 Y3 123.4(5) . 2_645 ?
Y4 O2 Y3 104.8(2) 3_756 2_645 ?
B6 O2 Y4 90.9(5) . 1_545 ?
Y4 O2 Y4 104.9(2) 3_756 1_545 ?
Y3 O2 Y4 105.3(2) 2_645 1_545 ?
B4 O3 Y4 147.1(5) . . ?
B4 O3 Y1 92.7(4) . 1_545 ?
Y4 O3 Y1 109.3(2) . 1_545 ?
B4 O3 Rb1 88.9(5) . . ?
Y4 O3 Rb1 102.6(2) . . ?
Y1 O3 Rb1 115.2(2) 1_545 . ?
B1 O4 Li2 80.4(7) . 2_565 ?
B1 O4 Y3 138.8(4) . . ?
Li2 O4 Y3 86.3(4) 2_565 . ?
B1 O4 Y5 91.0(6) . 1_545 ?
Li2 O4 Y5 170.0(4) 2_565 1_545 ?
Y3 O4 Y5 103.6(2) . 1_545 ?
B1 O4 Rb1 72.4(2) . 2_565 ?
Li2 O4 Rb1 70.4(4) 2_565 2_565 ?
Y3 O4 Rb1 138.08(18) . 2_565 ?
Y5 O4 Rb1 102.21(16) 1_545 2_565 ?
B5 O5 Y4 121.4(5) . 3_656 ?
B5 O5 Y3 125.7(5) . 2_545 ?
Y4 O5 Y3 106.7(2) 3_656 2_545 ?
B5 O5 Y2 89.8(5) . 3_646 ?
Y4 O5 Y2 101.8(2) 3_656 3_646 ?
Y3 O5 Y2 104.3(2) 2_545 3_646 ?
B3 O6 Li2 78.3(6) . 2_565 ?
B3 O6 Y2 126.5(5) . 4_565 ?
Li2 O6 Y2 85.9(4) 2_565 4_565 ?
B3 O6 Y3 90.1(5) . 1_565 ?
Li2 O6 Y3 167.0(5) 2_565 1_565 ?
Y2 O6 Y3 106.0(2) 4_565 1_565 ?
B3 O6 Y5 127.2(5) . . ?
Li2 O6 Y5 85.7(4) 2_565 . ?
Y2 O6 Y5 101.60(19) 4_565 . ?
Y3 O6 Y5 96.71(19) 1_565 . ?
B5 O7 Li2 104.0(7) . . ?
B5 O7 Y2 155.9(5) . 3_656 ?
Li2 O7 Y2 95.2(5) . 3_656 ?
B5 O7 Rb1 89.8(5) . . ?
Li2 O7 Rb1 90.8(4) . . ?
Y2 O7 Rb1 104.60(19) 3_656 . ?
B6 O8 Li1 105.1(6) . 2_645 ?
B6 O8 Y4 159.4(5) . . ?
Li1 O8 Y4 92.9(5) 2_645 . ?
B6 O8 Rb1 89.1(5) . . ?
Li1 O8 Rb1 82.0(4) 2_645 . ?
Y4 O8 Rb1 103.5(2) . . ?
B4 O9 Y2 142.1(5) . 3_656 ?
B4 O9 Y5 106.7(5) . 1_545 ?
Y2 O9 Y5 107.2(2) 3_656 1_545 ?
B4 O9 Rb1 83.2(5) . . ?
Y2 O9 Rb1 97.20(19) 3_656 . ?
Y5 O9 Rb1 115.1(2) 1_545 . ?
B2 O10 Li1 83.3(5) . 2_655 ?
B2 O10 Li1 83.3(5) . . ?
Li1 O10 Li1 166.7(9) 2_655 . ?
B2 O10 Y1 180.0 . . ?
Li1 O10 Y1 96.7(5) 2_655 . ?
Li1 O10 Y1 96.7(5) . . ?
B2 O10 Rb1 74.57(13) . 2_665 ?
Li1 O10 Rb1 108.4(4) 2_655 2_665 ?
Li1 O10 Rb1 67.9(4) . 2_665 ?
Y1 O10 Rb1 105.43(13) . 2_665 ?
B2 O10 Rb1 74.57(13) . 1_565 ?
Li1 O10 Rb1 67.9(4) 2_655 1_565 ?
Li1 O10 Rb1 108.4(4) . 1_565 ?
Y1 O10 Rb1 105.43(13) . 1_565 ?
Rb1 O10 Rb1 149.1(3) 2_665 1_565 ?
B5 O11 Y2 144.1(5) . . ?
B5 O11 Y2 96.9(5) . 3_646 ?
Y2 O11 Y2 107.2(2) . 3_646 ?
B5 O11 Rb1 88.5(4) . . ?
Y2 O11 Rb1 100.51(19) . . ?
Y2 O11 Rb1 121.4(2) 3_646 . ?
B4 O12 Y3 168.2(5) . . ?
B4 O12 Y1 93.5(5) . 1_545 ?
Y3 O12 Y1 95.24(19) . 1_545 ?
B4 O12 Rb1 80.9(5) . 1_565 ?
Y3 O12 Rb1 103.7(2) . 1_565 ?
Y1 O12 Rb1 108.41(19) 1_545 1_565 ?
B2 O13 Li1 81.4(7) . . ?
B2 O13 Y1 90.7(6) . 1_545 ?
Li1 O13 Y1 172.0(4) . 1_545 ?
B2 O13 Y3 129.3(3) . . ?
Li1 O13 Y3 87.4(4) . . ?
Y1 O13 Y3 98.3(2) 1_545 . ?
B2 O13 Rb1 79.8(3) . 2_665 ?
Li1 O13 Rb1 71.0(4) . 2_665 ?
Y1 O13 Rb1 107.00(17) 1_545 2_665 ?
Y3 O13 Rb1 141.38(18) . 2_665 ?
B1 O14 Li2 84.8(5) . 2_565 ?
B1 O14 Li2 84.8(5) . 1_565 ?
Li2 O14 Li2 169.5(10) 2_565 1_565 ?
B1 O14 Y5 180.0 . . ?
Li2 O14 Y5 95.2(5) 2_565 . ?
Li2 O14 Y5 95.2(5) 1_565 . ?
B1 O14 Rb1 75.91(14) . 2_565 ?
Li2 O14 Rb1 73.6(4) 2_565 2_565 ?
Li2 O14 Rb1 103.8(4) 1_565 2_565 ?
Y5 O14 Rb1 104.09(14) . 2_565 ?
B1 O14 Rb1 75.91(14) . 1_565 ?
Li2 O14 Rb1 103.8(4) 2_565 1_565 ?
Li2 O14 Rb1 73.6(4) 1_565 1_565 ?
Y5 O14 Rb1 104.09(14) . 1_565 ?
Rb1 O14 Rb1 151.8(3) 2_565 1_565 ?
B6 O15 Y2 144.3(5) . . ?
B6 O15 Y4 96.7(5) . 1_545 ?
Y2 O15 Y4 109.3(2) . 1_545 ?
B6 O15 Rb1 87.6(5) . . ?
Y2 O15 Rb1 98.32(19) . . ?
Y4 O15 Rb1 122.1(2) 1_545 . ?
B3 O16 Li2 86.9(7) . 2_565 ?
B3 O16 Li1 88.2(6) . . ?
Li2 O16 Li1 174.6(7) 2_565 . ?
B3 O16 Y3 167.7(5) . . ?
Li2 O16 Y3 92.3(5) 2_565 . ?
Li1 O16 Y3 91.9(5) . . ?

_refine_diff_density_max         1.210
_refine_diff_density_min         -1.749
_refine_diff_density_rms         0.349

