# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_a
_database_code_depnum_ccdc_archive 'CCDC 1455030'
_audit_update_record             
;
2016-02-21 deposited with the CCDC.
2016-03-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'B3 Cs2 Li3 O24 P6 Pb2'
_chemical_formula_weight         1303.27

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'
P P 0.1023 0.0942 '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'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   P2(1)3

loop_
_symmetry_equiv_pos_as_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'
'z, x, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z, x'
'-y, z+1/2, -x+1/2'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z, x+1/2'

_cell_length_a                   12.7246(3)
_cell_length_b                   12.7246(3)
_cell_length_c                   12.7246(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2060.31(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    6719
_cell_measurement_theta_min      2.7727
_cell_measurement_theta_max      27.4817

_exptl_crystal_description       Prism
_exptl_crystal_colour            White
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.2000
_exptl_crystal_size_min          0.0500
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    4.202
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2320
_exptl_absorpt_coefficient_mu    20.390
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5698
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            16077
_diffrn_reflns_av_R_equivalents  0.0450
_diffrn_reflns_av_sigmaI/netI    0.0378
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.77
_diffrn_reflns_theta_max         27.48
_reflns_number_total             1590
_reflns_number_gt                1567
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    .
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00010(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.003(4)
_chemical_absolute_configuration rm
_refine_ls_number_reflns         1590
_refine_ls_number_parameters     112
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0178
_refine_ls_R_factor_gt           0.0173
_refine_ls_wR_factor_ref         0.0288
_refine_ls_wR_factor_gt          0.0286
_refine_ls_goodness_of_fit_ref   0.964
_refine_ls_restrained_S_all      0.964
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cs1 Cs 0.64945(3) 0.35055(3) 0.85055(3) 0.01620(14) Uani 1 3 d S . .
Cs2 Cs 0.15382(3) 0.65382(3) 0.84618(3) 0.02271(15) Uani 1 3 d S . .
Pb1 Pb 0.406328(15) 0.093672(15) 0.906328(15) 0.00908(8) Uani 1 3 d S . .
Pb2 Pb 0.435825(16) 0.564175(16) 0.064175(16) 0.01189(9) Uani 1 3 d S . .
Li1 Li 0.4376(7) 0.5989(7) 0.8034(6) 0.0128(18) Uiso 1 1 d . . .
B1 B 0.8670(4) 0.6185(4) 0.8527(4) 0.0051(11) Uani 1 1 d . . .
P1 P 0.58559(10) 0.31572(9) 0.55452(10) 0.0056(3) Uani 1 1 d . . .
P2 P 0.65273(10) 0.63611(10) 0.87812(10) 0.0059(3) Uani 1 1 d . . .
O1 O 0.4041(2) 0.7081(2) 0.8998(2) 0.0121(8) Uani 1 1 d . . .
O2 O 0.6026(2) 0.3040(2) 0.4338(2) 0.0064(7) Uani 1 1 d . . .
O3 O 0.5863(2) 0.6054(2) 0.7847(2) 0.0097(7) Uani 1 1 d . . .
O4 O 0.4712(2) 0.3598(2) 0.5604(2) 0.0079(7) Uani 1 1 d . . .
O5 O 0.6602(2) 0.3941(2) 0.6023(2) 0.0118(8) Uani 1 1 d . . .
O6 O 0.7614(2) 0.5798(2) 0.8668(2) 0.0092(8) Uani 1 1 d . . .
O7 O 0.6768(3) 0.7545(2) 0.8806(3) 0.0110(8) Uiso 1 1 d . . .
O8 O 0.6064(2) 0.6005(3) 0.9814(2) 0.0113(8) 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
Cs1 O5 3.211(3) . ?
Cs1 O5 3.211(3) 10_646 ?
Cs1 O5 3.211(3) 7_665 ?
Cs1 O6 3.253(3) . ?
Cs1 O6 3.253(3) 10_646 ?
Cs1 O6 3.253(3) 7_665 ?
Cs1 O3 3.444(3) 7_665 ?
Cs1 O3 3.444(3) 10_646 ?
Cs1 O3 3.444(3) . ?
Cs1 O8 3.632(3) 7_665 ?
Cs1 O8 3.632(3) . ?
Cs1 O8 3.632(3) 10_646 ?
Cs2 O4 3.161(3) 2_565 ?
Cs2 O4 3.161(3) 7_565 ?
Cs2 O4 3.161(3) 12_565 ?
Cs2 O1 3.329(3) . ?
Cs2 O1 3.329(3) 8_656 ?
Cs2 O1 3.329(3) 11_466 ?
Cs2 O2 3.489(3) 12_565 ?
Cs2 O2 3.489(3) 7_565 ?
Cs2 O2 3.489(3) 2_565 ?
Cs2 B1 3.678(5) 1_455 ?
Cs2 B1 3.678(5) 11_467 ?
Cs2 B1 3.678(5) 8_646 ?
Pb1 O3 2.437(3) 10_646 ?
Pb1 O3 2.437(3) 8_646 ?
Pb1 O3 2.437(3) 3_646 ?
Pb1 O5 2.680(3) 8_646 ?
Pb1 O5 2.680(3) 3_646 ?
Pb1 O5 2.680(3) 10_646 ?
Pb1 Li1 3.327(8) 10_646 ?
Pb1 Li1 3.328(8) 8_646 ?
Pb1 Li1 3.328(8) 3_646 ?
Pb1 Cs1 4.55615(13) 3_646 ?
Pb1 Cs1 4.55615(13) 4_457 ?
Pb2 O8 2.457(3) 10_645 ?
Pb2 O8 2.457(3) 1_554 ?
Pb2 O8 2.457(3) 7_664 ?
Pb2 Li1 3.348(8) 7_664 ?
Pb2 Li1 3.348(8) 10_645 ?
Pb2 Li1 3.348(8) 1_554 ?
Pb2 Cs2 4.67678(14) 4_566 ?
Pb2 Cs2 4.67679(14) 1_554 ?
Pb2 Cs2 4.67678(14) 2_564 ?
Pb2 Cs1 4.7082(7) 1_554 ?
Li1 O1 1.902(9) . ?
Li1 O5 1.905(9) 9 ?
Li1 O3 1.910(9) . ?
Li1 O8 1.946(9) 10_646 ?
Li1 P2 2.936(9) . ?
Li1 P2 3.014(8) 10_646 ?
Li1 Pb1 3.328(8) 3_656 ?
Li1 Pb2 3.348(8) 1_556 ?
Li1 Cs1 3.914(8) 3_656 ?
B1 O6 1.442(6) . ?
B1 O7 1.464(6) 5 ?
B1 O4 1.472(6) 7_665 ?
B1 O2 1.478(6) 2_665 ?
B1 Cs2 3.678(5) 1_655 ?
P1 O1 1.493(3) 3_646 ?
P1 O5 1.505(3) . ?
P1 O2 1.558(3) . ?
P1 O4 1.561(3) . ?
P1 Cs2 4.0570(13) 2_564 ?
P1 Cs2 4.1032(13) 3_646 ?
P2 O8 1.510(3) . ?
P2 O3 1.510(3) . ?
P2 O7 1.537(3) . ?
P2 O6 1.564(3) . ?
P2 Li1 3.014(8) 7_665 ?
O1 P1 1.493(3) 3_656 ?
O1 Cs1 3.728(3) 3_656 ?
O2 B1 1.478(6) 2_664 ?
O2 Cs2 3.489(3) 2_564 ?
O3 Pb1 2.437(3) 3_656 ?
O4 B1 1.472(6) 10_646 ?
O4 Cs2 3.161(3) 2_564 ?
O5 Li1 1.905(9) 5 ?
O5 Pb1 2.680(3) 3_656 ?
O7 B1 1.464(6) 9 ?
O7 Cs2 3.678(3) 4_567 ?
O8 Li1 1.946(9) 7_665 ?
O8 Pb2 2.457(3) 1_556 ?

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 Cs1 O5 97.76(7) . 10_646 ?
O5 Cs1 O5 97.76(7) . 7_665 ?
O5 Cs1 O5 97.76(7) 10_646 7_665 ?
O5 Cs1 O6 83.65(8) . . ?
O5 Cs1 O6 163.89(8) 10_646 . ?
O5 Cs1 O6 66.20(7) 7_665 . ?
O5 Cs1 O6 66.20(7) . 10_646 ?
O5 Cs1 O6 83.65(8) 10_646 10_646 ?
O5 Cs1 O6 163.89(8) 7_665 10_646 ?
O6 Cs1 O6 111.31(5) . 10_646 ?
O5 Cs1 O6 163.89(8) . 7_665 ?
O5 Cs1 O6 66.20(7) 10_646 7_665 ?
O5 Cs1 O6 83.65(8) 7_665 7_665 ?
O6 Cs1 O6 111.31(5) . 7_665 ?
O6 Cs1 O6 111.31(5) 10_646 7_665 ?
O5 Cs1 O3 151.15(7) . 7_665 ?
O5 Cs1 O3 108.16(7) 10_646 7_665 ?
O5 Cs1 O3 66.93(8) 7_665 7_665 ?
O6 Cs1 O3 67.94(8) . 7_665 ?
O6 Cs1 O3 127.99(7) 10_646 7_665 ?
O6 Cs1 O3 43.39(7) 7_665 7_665 ?
O5 Cs1 O3 108.16(7) . 10_646 ?
O5 Cs1 O3 66.93(8) 10_646 10_646 ?
O5 Cs1 O3 151.15(7) 7_665 10_646 ?
O6 Cs1 O3 127.99(7) . 10_646 ?
O6 Cs1 O3 43.39(7) 10_646 10_646 ?
O6 Cs1 O3 67.94(8) 7_665 10_646 ?
O3 Cs1 O3 93.80(7) 7_665 10_646 ?
O5 Cs1 O3 66.93(8) . . ?
O5 Cs1 O3 151.15(7) 10_646 . ?
O5 Cs1 O3 108.16(7) 7_665 . ?
O6 Cs1 O3 43.39(7) . . ?
O6 Cs1 O3 67.94(8) 10_646 . ?
O6 Cs1 O3 127.99(7) 7_665 . ?
O3 Cs1 O3 93.80(7) 7_665 . ?
O3 Cs1 O3 93.80(7) 10_646 . ?
O5 Cs1 O8 148.82(8) . 7_665 ?
O5 Cs1 O8 96.12(7) 10_646 7_665 ?
O5 Cs1 O8 107.84(7) 7_665 7_665 ?
O6 Cs1 O8 90.56(7) . 7_665 ?
O6 Cs1 O8 87.87(7) 10_646 7_665 ?
O6 Cs1 O8 41.52(7) 7_665 7_665 ?
O3 Cs1 O8 41.56(7) 7_665 7_665 ?
O3 Cs1 O8 53.19(7) 10_646 7_665 ?
O3 Cs1 O8 87.95(7) . 7_665 ?
O5 Cs1 O8 107.84(7) . . ?
O5 Cs1 O8 148.82(8) 10_646 . ?
O5 Cs1 O8 96.12(7) 7_665 . ?
O6 Cs1 O8 41.52(7) . . ?
O6 Cs1 O8 90.56(7) 10_646 . ?
O6 Cs1 O8 87.87(7) 7_665 . ?
O3 Cs1 O8 53.19(7) 7_665 . ?
O3 Cs1 O8 87.95(7) 10_646 . ?
O3 Cs1 O8 41.56(7) . . ?
O8 Cs1 O8 52.94(8) 7_665 . ?
O5 Cs1 O8 96.12(7) . 10_646 ?
O5 Cs1 O8 107.84(8) 10_646 10_646 ?
O5 Cs1 O8 148.82(8) 7_665 10_646 ?
O6 Cs1 O8 87.87(7) . 10_646 ?
O6 Cs1 O8 41.52(7) 10_646 10_646 ?
O6 Cs1 O8 90.56(7) 7_665 10_646 ?
O3 Cs1 O8 87.95(7) 7_665 10_646 ?
O3 Cs1 O8 41.56(7) 10_646 10_646 ?
O3 Cs1 O8 53.19(7) . 10_646 ?
O8 Cs1 O8 52.94(8) 7_665 10_646 ?
O8 Cs1 O8 52.94(8) . 10_646 ?
O4 Cs2 O4 59.41(9) 2_565 7_565 ?
O4 Cs2 O4 59.41(9) 2_565 12_565 ?
O4 Cs2 O4 59.41(9) 7_565 12_565 ?
O4 Cs2 O1 108.42(8) 2_565 . ?
O4 Cs2 O1 156.64(8) 7_565 . ?
O4 Cs2 O1 97.37(8) 12_565 . ?
O4 Cs2 O1 97.37(8) 2_565 8_656 ?
O4 Cs2 O1 108.42(8) 7_565 8_656 ?
O4 Cs2 O1 156.64(8) 12_565 8_656 ?
O1 Cs2 O1 92.30(8) . 8_656 ?
O4 Cs2 O1 156.64(8) 2_565 11_466 ?
O4 Cs2 O1 97.37(8) 7_565 11_466 ?
O4 Cs2 O1 108.42(8) 12_565 11_466 ?
O1 Cs2 O1 92.30(8) . 11_466 ?
O1 Cs2 O1 92.30(8) 8_656 11_466 ?
O4 Cs2 O2 41.72(8) 2_565 12_565 ?
O4 Cs2 O2 85.44(7) 7_565 12_565 ?
O4 Cs2 O2 42.46(8) 12_565 12_565 ?
O1 Cs2 O2 74.19(7) . 12_565 ?
O1 Cs2 O2 122.09(7) 8_656 12_565 ?
O1 Cs2 O2 142.84(7) 11_466 12_565 ?
O4 Cs2 O2 85.44(7) 2_565 7_565 ?
O4 Cs2 O2 42.46(8) 7_565 7_565 ?
O4 Cs2 O2 41.72(8) 12_565 7_565 ?
O1 Cs2 O2 122.09(7) . 7_565 ?
O1 Cs2 O2 142.84(7) 8_656 7_565 ?
O1 Cs2 O2 74.19(7) 11_466 7_565 ?
O2 Cs2 O2 83.92(7) 12_565 7_565 ?
O4 Cs2 O2 42.46(8) 2_565 2_565 ?
O4 Cs2 O2 41.72(8) 7_565 2_565 ?
O4 Cs2 O2 85.44(7) 12_565 2_565 ?
O1 Cs2 O2 142.84(7) . 2_565 ?
O1 Cs2 O2 74.19(7) 8_656 2_565 ?
O1 Cs2 O2 122.09(7) 11_466 2_565 ?
O2 Cs2 O2 83.92(7) 12_565 2_565 ?
O2 Cs2 O2 83.92(7) 7_565 2_565 ?
O4 Cs2 B1 58.28(10) 2_565 1_455 ?
O4 Cs2 B1 23.31(9) 7_565 1_455 ?
O4 Cs2 B1 80.15(10) 12_565 1_455 ?
O1 Cs2 B1 165.88(10) . 1_455 ?
O1 Cs2 B1 85.30(10) 8_656 1_455 ?
O1 Cs2 B1 101.69(10) 11_466 1_455 ?
O2 Cs2 B1 95.29(10) 12_565 1_455 ?
O2 Cs2 B1 64.67(9) 7_565 1_455 ?
O2 Cs2 B1 23.62(9) 2_565 1_455 ?
O4 Cs2 B1 23.31(9) 2_565 11_467 ?
O4 Cs2 B1 80.15(10) 7_565 11_467 ?
O4 Cs2 B1 58.28(10) 12_565 11_467 ?
O1 Cs2 B1 85.30(10) . 11_467 ?
O1 Cs2 B1 101.69(10) 8_656 11_467 ?
O1 Cs2 B1 165.88(10) 11_466 11_467 ?
O2 Cs2 B1 23.62(9) 12_565 11_467 ?
O2 Cs2 B1 95.29(10) 7_565 11_467 ?
O2 Cs2 B1 64.67(9) 2_565 11_467 ?
B1 Cs2 B1 81.57(12) 1_455 11_467 ?
O4 Cs2 B1 80.15(10) 2_565 8_646 ?
O4 Cs2 B1 58.28(10) 7_565 8_646 ?
O4 Cs2 B1 23.31(9) 12_565 8_646 ?
O1 Cs2 B1 101.69(10) . 8_646 ?
O1 Cs2 B1 165.88(10) 8_656 8_646 ?
O1 Cs2 B1 85.30(10) 11_466 8_646 ?
O2 Cs2 B1 64.67(9) 12_565 8_646 ?
O2 Cs2 B1 23.62(9) 7_565 8_646 ?
O2 Cs2 B1 95.29(10) 2_565 8_646 ?
B1 Cs2 B1 81.57(12) 1_455 8_646 ?
B1 Cs2 B1 81.57(12) 11_467 8_646 ?
O3 Pb1 O3 88.83(11) 10_646 8_646 ?
O3 Pb1 O3 88.83(11) 10_646 3_646 ?
O3 Pb1 O3 88.83(11) 8_646 3_646 ?
O3 Pb1 O5 69.27(9) 10_646 8_646 ?
O3 Pb1 O5 91.68(10) 8_646 8_646 ?
O3 Pb1 O5 158.07(10) 3_646 8_646 ?
O3 Pb1 O5 158.07(10) 10_646 3_646 ?
O3 Pb1 O5 69.27(9) 8_646 3_646 ?
O3 Pb1 O5 91.68(10) 3_646 3_646 ?
O5 Pb1 O5 108.99(7) 8_646 3_646 ?
O3 Pb1 O5 91.68(10) 10_646 10_646 ?
O3 Pb1 O5 158.07(10) 8_646 10_646 ?
O3 Pb1 O5 69.27(9) 3_646 10_646 ?
O5 Pb1 O5 108.99(7) 8_646 10_646 ?
O5 Pb1 O5 108.99(7) 3_646 10_646 ?
O3 Pb1 Li1 34.51(16) 10_646 10_646 ?
O3 Pb1 Li1 92.70(16) 8_646 10_646 ?
O3 Pb1 Li1 123.17(17) 3_646 10_646 ?
O5 Pb1 Li1 34.90(16) 8_646 10_646 ?
O5 Pb1 Li1 141.10(16) 3_646 10_646 ?
O5 Pb1 Li1 100.08(16) 10_646 10_646 ?
O3 Pb1 Li1 123.17(17) 10_646 8_646 ?
O3 Pb1 Li1 34.51(16) 8_646 8_646 ?
O3 Pb1 Li1 92.70(16) 3_646 8_646 ?
O5 Pb1 Li1 100.08(16) 8_646 8_646 ?
O5 Pb1 Li1 34.90(16) 3_646 8_646 ?
O5 Pb1 Li1 141.10(16) 10_646 8_646 ?
Li1 Pb1 Li1 118.34(6) 10_646 8_646 ?
O3 Pb1 Li1 92.70(16) 10_646 3_646 ?
O3 Pb1 Li1 123.17(17) 8_646 3_646 ?
O3 Pb1 Li1 34.51(16) 3_646 3_646 ?
O5 Pb1 Li1 141.10(16) 8_646 3_646 ?
O5 Pb1 Li1 100.08(16) 3_646 3_646 ?
O5 Pb1 Li1 34.90(16) 10_646 3_646 ?
Li1 Pb1 Li1 118.34(6) 10_646 3_646 ?
Li1 Pb1 Li1 118.34(6) 8_646 3_646 ?
O3 Pb1 Cs1 48.08(7) 10_646 . ?
O3 Pb1 Cs1 134.04(7) 8_646 . ?
O3 Pb1 Cs1 76.99(7) 3_646 . ?
O5 Pb1 Cs1 87.05(7) 8_646 . ?
O5 Pb1 Cs1 152.66(6) 3_646 . ?
O5 Pb1 Cs1 43.77(7) 10_646 . ?
Li1 Pb1 Cs1 62.04(15) 10_646 . ?
Li1 Pb1 Cs1 165.86(15) 8_646 . ?
Li1 Pb1 Cs1 57.00(15) 3_646 . ?
O3 Pb1 Cs1 134.04(7) 10_646 3_646 ?
O3 Pb1 Cs1 76.99(7) 8_646 3_646 ?
O3 Pb1 Cs1 48.08(7) 3_646 3_646 ?
O5 Pb1 Cs1 152.66(6) 8_646 3_646 ?
O5 Pb1 Cs1 43.77(7) 3_646 3_646 ?
O5 Pb1 Cs1 87.05(6) 10_646 3_646 ?
Li1 Pb1 Cs1 165.86(15) 10_646 3_646 ?
Li1 Pb1 Cs1 57.00(15) 8_646 3_646 ?
Li1 Pb1 Cs1 62.04(15) 3_646 3_646 ?
Cs1 Pb1 Cs1 118.760(2) . 3_646 ?
O3 Pb1 Cs1 76.99(7) 10_646 4_457 ?
O3 Pb1 Cs1 48.08(7) 8_646 4_457 ?
O3 Pb1 Cs1 134.04(7) 3_646 4_457 ?
O5 Pb1 Cs1 43.77(7) 8_646 4_457 ?
O5 Pb1 Cs1 87.05(6) 3_646 4_457 ?
O5 Pb1 Cs1 152.66(6) 10_646 4_457 ?
Li1 Pb1 Cs1 57.00(15) 10_646 4_457 ?
Li1 Pb1 Cs1 62.04(15) 8_646 4_457 ?
Li1 Pb1 Cs1 165.86(15) 3_646 4_457 ?
Cs1 Pb1 Cs1 118.760(2) . 4_457 ?
Cs1 Pb1 Cs1 118.760(2) 3_646 4_457 ?
O8 Pb2 O8 82.43(12) 10_645 1_554 ?
O8 Pb2 O8 82.43(11) 10_645 7_664 ?
O8 Pb2 O8 82.43(12) 1_554 7_664 ?
O8 Pb2 Li1 107.48(17) 10_645 7_664 ?
O8 Pb2 Li1 35.13(16) 1_554 7_664 ?
O8 Pb2 Li1 62.88(16) 7_664 7_664 ?
O8 Pb2 Li1 62.88(16) 10_645 10_645 ?
O8 Pb2 Li1 107.48(17) 1_554 10_645 ?
O8 Pb2 Li1 35.13(16) 7_664 10_645 ?
Li1 Pb2 Li1 97.19(19) 7_664 10_645 ?
O8 Pb2 Li1 35.13(16) 10_645 1_554 ?
O8 Pb2 Li1 62.88(16) 1_554 1_554 ?
O8 Pb2 Li1 107.48(17) 7_664 1_554 ?
Li1 Pb2 Li1 97.19(19) 7_664 1_554 ?
Li1 Pb2 Li1 97.19(19) 10_645 1_554 ?
O8 Pb2 Cs2 131.01(7) 10_645 4_566 ?
O8 Pb2 Cs2 55.67(8) 1_554 4_566 ?
O8 Pb2 Cs2 112.19(7) 7_664 4_566 ?
Li1 Pb2 Cs2 52.05(15) 7_664 4_566 ?
Li1 Pb2 Cs2 147.19(14) 10_645 4_566 ?
Li1 Pb2 Cs2 97.84(14) 1_554 4_566 ?
O8 Pb2 Cs2 55.67(8) 10_645 1_554 ?
O8 Pb2 Cs2 112.19(7) 1_554 1_554 ?
O8 Pb2 Cs2 131.01(7) 7_664 1_554 ?
Li1 Pb2 Cs2 147.19(14) 7_664 1_554 ?
Li1 Pb2 Cs2 97.84(14) 10_645 1_554 ?
Li1 Pb2 Cs2 52.05(15) 1_554 1_554 ?
Cs2 Pb2 Cs2 114.369(4) 4_566 1_554 ?
O8 Pb2 Cs2 112.19(7) 10_645 2_564 ?
O8 Pb2 Cs2 131.01(7) 1_554 2_564 ?
O8 Pb2 Cs2 55.67(8) 7_664 2_564 ?
Li1 Pb2 Cs2 97.84(14) 7_664 2_564 ?
Li1 Pb2 Cs2 52.05(15) 10_645 2_564 ?
Li1 Pb2 Cs2 147.19(14) 1_554 2_564 ?
Cs2 Pb2 Cs2 114.369(4) 4_566 2_564 ?
Cs2 Pb2 Cs2 114.369(4) 1_554 2_564 ?
O8 Pb2 Cs1 49.53(8) 10_645 1_554 ?
O8 Pb2 Cs1 49.53(8) 1_554 1_554 ?
O8 Pb2 Cs1 49.53(8) 7_664 1_554 ?
Li1 Pb2 Cs1 60.01(15) 7_664 1_554 ?
Li1 Pb2 Cs1 60.01(15) 10_645 1_554 ?
Li1 Pb2 Cs1 60.01(15) 1_554 1_554 ?
Cs2 Pb2 Cs1 103.967(5) 4_566 1_554 ?
Cs2 Pb2 Cs1 103.967(5) 1_554 1_554 ?
Cs2 Pb2 Cs1 103.967(5) 2_564 1_554 ?
O1 Li1 O5 122.4(5) . 9 ?
O1 Li1 O3 105.7(4) . . ?
O5 Li1 O3 99.7(4) 9 . ?
O1 Li1 O8 97.2(4) . 10_646 ?
O5 Li1 O8 120.6(5) 9 10_646 ?
O3 Li1 O8 110.7(4) . 10_646 ?
O1 Li1 P2 83.2(3) . . ?
O5 Li1 P2 125.2(4) 9 . ?
O3 Li1 P2 27.03(16) . . ?
O8 Li1 P2 99.5(3) 10_646 . ?
O1 Li1 P2 119.5(4) . 10_646 ?
O5 Li1 P2 96.2(3) 9 10_646 ?
O3 Li1 P2 111.8(4) . 10_646 ?
O8 Li1 P2 25.45(15) 10_646 10_646 ?
P2 Li1 P2 112.4(3) . 10_646 ?
O1 Li1 Pb1 131.7(4) . 3_656 ?
O5 Li1 Pb1 53.6(2) 9 3_656 ?
O3 Li1 Pb1 46.3(2) . 3_656 ?
O8 Li1 Pb1 127.3(4) 10_646 3_656 ?
P2 Li1 Pb1 72.92(19) . 3_656 ?
P2 Li1 Pb1 108.4(2) 10_646 3_656 ?
O1 Li1 Pb2 57.0(2) . 1_556 ?
O5 Li1 Pb2 161.7(4) 9 1_556 ?
O3 Li1 Pb2 97.8(3) . 1_556 ?
O8 Li1 Pb2 46.6(2) 10_646 1_556 ?
P2 Li1 Pb2 72.94(18) . 1_556 ?
P2 Li1 Pb2 72.02(17) 10_646 1_556 ?
Pb1 Li1 Pb2 142.8(3) 3_656 1_556 ?
O1 Li1 Cs2 63.3(3) . . ?
O5 Li1 Cs2 81.6(3) 9 . ?
O3 Li1 Cs2 166.6(4) . . ?
O8 Li1 Cs2 79.4(3) 10_646 . ?
P2 Li1 Cs2 145.9(3) . . ?
P2 Li1 Cs2 81.14(19) 10_646 . ?
Pb1 Li1 Cs2 134.5(3) 3_656 . ?
Pb2 Li1 Cs2 82.72(18) 1_556 . ?
O1 Li1 Cs1 70.2(3) . 3_656 ?
O5 Li1 Cs1 54.6(2) 9 3_656 ?
O3 Li1 Cs1 100.5(3) . 3_656 ?
O8 Li1 Cs1 148.6(4) 10_646 3_656 ?
P2 Li1 Cs1 107.1(2) . 3_656 ?
P2 Li1 Cs1 140.1(3) 10_646 3_656 ?
Pb1 Li1 Cs1 77.52(16) 3_656 3_656 ?
Pb2 Li1 Cs1 127.0(2) 1_556 3_656 ?
Cs2 Li1 Cs1 69.19(15) . 3_656 ?
O1 Li1 Cs1 127.0(3) . . ?
O5 Li1 Cs1 109.9(3) 9 . ?
O3 Li1 Cs1 54.1(2) . . ?
O8 Li1 Cs1 59.8(2) 10_646 . ?
P2 Li1 Cs1 58.41(15) . . ?
P2 Li1 Cs1 58.09(14) 10_646 . ?
Pb1 Li1 Cs1 73.51(16) 3_656 . ?
Pb2 Li1 Cs1 76.30(16) 1_556 . ?
Cs2 Li1 Cs1 138.1(2) . . ?
Cs1 Li1 Cs1 150.4(2) 3_656 . ?
O6 B1 O7 112.9(4) . 5 ?
O6 B1 O4 108.2(4) . 7_665 ?
O7 B1 O4 111.7(4) 5 7_665 ?
O6 B1 O2 112.6(4) . 2_665 ?
O7 B1 O2 103.1(4) 5 2_665 ?
O4 B1 O2 108.1(4) 7_665 2_665 ?
O6 B1 Cs2 165.7(3) . 1_655 ?
O7 B1 Cs2 78.5(2) 5 1_655 ?
O4 B1 Cs2 58.2(2) 7_665 1_655 ?
O2 B1 Cs2 71.0(2) 2_665 1_655 ?
O1 P1 O5 113.26(19) 3_646 . ?
O1 P1 O2 106.48(18) 3_646 . ?
O5 P1 O2 111.94(18) . . ?
O1 P1 O4 113.13(18) 3_646 . ?
O5 P1 O4 109.33(18) . . ?
O2 P1 O4 102.16(17) . . ?
O1 P1 Cs1 73.05(13) 3_646 . ?
O5 P1 Cs1 53.15(13) . . ?
O2 P1 Cs1 159.90(12) . . ?
O4 P1 Cs1 96.19(13) . . ?
O1 P1 Cs2 114.08(14) 3_646 2_564 ?
O5 P1 Cs2 132.40(14) . 2_564 ?
O2 P1 Cs2 57.93(11) . 2_564 ?
O4 P1 Cs2 45.33(12) . 2_564 ?
Cs1 P1 Cs2 141.35(3) . 2_564 ?
O1 P1 Cs2 49.35(13) 3_646 3_646 ?
O5 P1 Cs2 72.44(13) . 3_646 ?
O2 P1 Cs2 98.25(12) . 3_646 ?
O4 P1 Cs2 156.76(13) . 3_646 ?
Cs1 P1 Cs2 65.73(2) . 3_646 ?
Cs2 P1 Cs2 148.87(3) 2_564 3_646 ?
O8 P2 O3 112.90(18) . . ?
O8 P2 O7 110.69(19) . . ?
O3 P2 O7 112.44(19) . . ?
O8 P2 O6 106.70(18) . . ?
O3 P2 O6 107.68(18) . . ?
O7 P2 O6 105.97(19) . . ?
O8 P2 Li1 82.5(2) . . ?
O3 P2 Li1 35.1(2) . . ?
O7 P2 Li1 110.5(2) . . ?
O6 P2 Li1 136.1(2) . . ?
O8 P2 Li1 33.65(19) . 7_665 ?
O3 P2 Li1 139.2(2) . 7_665 ?
O7 P2 Li1 104.4(2) . 7_665 ?
O6 P2 Li1 77.24(19) . 7_665 ?
Li1 P2 Li1 115.1(3) . 7_665 ?
O8 P2 Cs1 77.33(13) . . ?
O3 P2 Cs1 70.12(13) . . ?
O7 P2 Cs1 168.37(14) . . ?
O6 P2 Cs1 62.95(12) . . ?
Li1 P2 Cs1 78.34(17) . . ?
Li1 P2 Cs1 77.41(17) 7_665 . ?
P1 O1 Li1 154.3(3) 3_656 . ?
P1 O1 Cs2 110.75(15) 3_656 . ?
Li1 O1 Cs2 86.0(3) . . ?
P1 O1 Cs1 84.43(14) 3_656 3_656 ?
Li1 O1 Cs1 81.1(3) . 3_656 ?
Cs2 O1 Cs1 75.58(7) . 3_656 ?
B1 O2 P1 131.3(3) 2_664 . ?
B1 O2 Cs2 85.4(2) 2_664 2_564 ?
P1 O2 Cs2 99.83(14) . 2_564 ?
P2 O3 Li1 117.9(3) . . ?
P2 O3 Pb1 141.22(19) . 3_656 ?
Li1 O3 Pb1 99.2(3) . 3_656 ?
P2 O3 Cs1 85.53(13) . . ?
Li1 O3 Cs1 99.2(3) . . ?
Pb1 O3 Cs1 100.15(10) 3_656 . ?
B1 O4 P1 137.0(3) 10_646 . ?
B1 O4 Cs2 98.5(2) 10_646 2_564 ?
P1 O4 Cs2 114.10(16) . 2_564 ?
P1 O5 Li1 141.9(3) . 5 ?
P1 O5 Pb1 114.33(17) . 3_656 ?
Li1 O5 Pb1 91.5(3) 5 3_656 ?
P1 O5 Cs1 104.83(15) . . ?
Li1 O5 Cs1 96.5(3) 5 . ?
Pb1 O5 Cs1 100.96(9) 3_656 . ?
B1 O6 P2 132.7(3) . . ?
B1 O6 Cs1 134.9(3) . . ?
P2 O6 Cs1 91.70(13) . . ?
B1 O7 P2 137.2(3) 9 . ?
B1 O7 Cs2 78.5(2) 9 4_567 ?
P2 O7 Cs2 108.35(15) . 4_567 ?
P2 O8 Li1 120.9(3) . 7_665 ?
P2 O8 Pb2 140.77(18) . 1_556 ?
Li1 O8 Pb2 98.3(3) 7_665 1_556 ?
P2 O8 Cs1 78.75(13) . . ?
Li1 O8 Cs1 92.6(3) 7_665 . ?
Pb2 O8 Cs1 99.49(10) 1_556 . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.995
_refine_diff_density_min         -0.989
_refine_diff_density_rms         0.131
####################################################################### 
# 
# 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_a
_database_code_depnum_ccdc_archive 'CCDC 1455031'
_audit_update_record             
;
2016-02-21 deposited with the CCDC.
2016-03-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'B3 Cs2 Li3 O24 P6 Sr2'
_chemical_formula_weight         1064.13

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sr Sr -1.5307 3.2498 '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'

_symmetry_cell_setting           cubic
_symmetry_space_group_name_H-M   P2(1)3

loop_
_symmetry_equiv_pos_as_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'
'z, x, y'
'z+1/2, -x+1/2, -y'
'-z+1/2, -x, y+1/2'
'-z, x+1/2, -y+1/2'
'y, z, x'
'-y, z+1/2, -x+1/2'
'y+1/2, -z+1/2, -x'
'-y+1/2, -z, x+1/2'

_cell_length_a                   12.6874(13)
_cell_length_b                   12.6874(13)
_cell_length_c                   12.6874(13)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2042.3(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    6384
_cell_measurement_theta_min      2.7795
_cell_measurement_theta_max      27.4200

_exptl_crystal_description       Prism
_exptl_crystal_colour            White
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.1500
_exptl_crystal_size_min          0.1000
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.461
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1968
_exptl_absorpt_coefficient_mu    9.328
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8010
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            16012
_diffrn_reflns_av_R_equivalents  0.0383
_diffrn_reflns_av_sigmaI/netI    0.0263
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.78
_diffrn_reflns_theta_max         27.40
_reflns_number_total             1578
_reflns_number_gt                1546
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0154P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    .
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00207(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.001(6)
_refine_ls_number_reflns         1578
_refine_ls_number_parameters     122
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0181
_refine_ls_R_factor_gt           0.0173
_refine_ls_wR_factor_ref         0.0342
_refine_ls_wR_factor_gt          0.0340
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.042
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cs1 Cs 0.649657(17) 0.350343(17) 0.850343(17) 0.01722(9) Uani 1 3 d S . .
Cs2 Cs 0.155267(17) 0.655267(17) 0.844733(17) 0.02096(10) Uani 1 3 d S . .
Sr1 Sr 0.40813(2) 0.09187(2) 0.90813(2) 0.01003(12) Uani 1 3 d S . .
Sr2 Sr 0.42594(2) 0.57406(2) 0.07406(2) 0.01041(12) Uani 1 3 d S . .
Li1 Li 0.4389(4) 0.5949(4) 0.8040(4) 0.0116(11) Uani 1 1 d . . .
B1 B 0.8660(3) 0.6213(2) 0.8529(3) 0.0057(7) Uani 1 1 d . . .
P1 P 0.58323(7) 0.31711(6) 0.55520(6) 0.00666(16) Uani 1 1 d . . .
P2 P 0.65195(6) 0.63674(6) 0.88068(6) 0.00681(16) Uani 1 1 d . . .
O1 O 0.40293(17) 0.71109(16) 0.89525(16) 0.0127(5) Uani 1 1 d . . .
O2 O 0.60032(17) 0.29822(16) 0.43375(16) 0.0079(4) Uani 1 1 d . . .
O3 O 0.58786(17) 0.60011(18) 0.78767(16) 0.0117(5) Uani 1 1 d . . .
O4 O 0.46729(16) 0.36028(17) 0.55925(15) 0.0104(5) Uani 1 1 d . . .
O5 O 0.65536(17) 0.40151(16) 0.59767(17) 0.0120(4) Uani 1 1 d . . .
O6 O 0.76181(15) 0.57996(16) 0.87492(16) 0.0103(5) Uani 1 1 d . . .
O7 O 0.67929(16) 0.75578(15) 0.87461(17) 0.0130(5) Uani 1 1 d . . .
O8 O 0.60327(18) 0.61066(17) 0.98581(16) 0.0140(5) 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
Cs1 O6 3.257(2) 10_646 ?
Cs1 O6 3.257(2) . ?
Cs1 O6 3.257(2) 7_665 ?
Cs1 O5 3.272(2) 10_646 ?
Cs1 O5 3.272(2) . ?
Cs1 O5 3.272(2) 7_665 ?
Cs1 O3 3.360(2) 7_665 ?
Cs1 O3 3.360(2) 10_646 ?
Cs1 O3 3.360(2) . ?
Cs1 O1 3.644(2) 3_646 ?
Cs1 O1 3.644(2) 12_665 ?
Cs1 O1 3.644(2) 5 ?
Cs2 O4 3.141(2) 7_565 ?
Cs2 O4 3.141(2) 12_565 ?
Cs2 O4 3.141(2) 2_565 ?
Cs2 O1 3.284(2) . ?
Cs2 O1 3.284(2) 11_466 ?
Cs2 O1 3.284(2) 8_656 ?
Cs2 O2 3.484(2) 7_565 ?
Cs2 O2 3.484(2) 2_565 ?
Cs2 O2 3.484(2) 12_565 ?
Cs2 B1 3.697(3) 1_455 ?
Cs2 B1 3.697(3) 8_646 ?
Cs2 B1 3.697(3) 11_467 ?
Sr1 O3 2.487(2) 8_646 ?
Sr1 O3 2.487(2) 10_646 ?
Sr1 O3 2.487(2) 3_646 ?
Sr1 O5 2.547(2) 3_646 ?
Sr1 O5 2.547(2) 8_646 ?
Sr1 O5 2.547(2) 10_646 ?
Sr1 Li1 3.319(5) 8_646 ?
Sr1 Li1 3.319(5) 10_646 ?
Sr1 Li1 3.319(5) 3_646 ?
Sr1 P1 3.5186(9) 8_646 ?
Sr1 P1 3.5186(9) 3_646 ?
Sr1 P1 3.5186(9) 10_646 ?
Sr2 O8 2.556(2) 10_645 ?
Sr2 O8 2.556(2) 7_664 ?
Sr2 O8 2.556(2) 1_554 ?
Sr2 O2 2.865(2) 12_564 ?
Sr2 O2 2.865(2) 5 ?
Sr2 O2 2.865(2) 3_655 ?
Sr2 O1 2.873(2) 10_645 ?
Sr2 O1 2.873(2) 7_664 ?
Sr2 O1 2.873(2) 1_554 ?
Sr2 Li1 3.440(5) 10_645 ?
Sr2 Li1 3.440(5) 7_664 ?
Sr2 Li1 3.440(5) 1_554 ?
Li1 O3 1.903(6) . ?
Li1 O8 1.922(6) 10_646 ?
Li1 O1 1.929(6) . ?
Li1 O5 1.945(6) 9 ?
Li1 P2 2.922(5) . ?
Li1 P2 2.936(5) 10_646 ?
Li1 Sr1 3.319(5) 3_656 ?
Li1 Sr2 3.440(5) 1_556 ?
Li1 Cs1 3.950(6) 3_656 ?
B1 O7 1.440(4) 5 ?
B1 O6 1.449(4) . ?
B1 O4 1.474(4) 7_665 ?
B1 O2 1.509(4) 2_665 ?
B1 Cs2 3.697(3) 1_655 ?
P1 O1 1.495(2) 3_646 ?
P1 O5 1.508(2) . ?
P1 O4 1.570(2) . ?
P1 O2 1.574(2) . ?
P1 Sr2 3.4947(9) 3_645 ?
P1 Sr1 3.5186(9) 3_656 ?
P1 Cs2 4.0508(9) 2_564 ?
P1 Cs2 4.1032(9) 3_646 ?
P2 O3 1.507(2) . ?
P2 O8 1.507(2) . ?
P2 O7 1.551(2) . ?
P2 O6 1.571(2) . ?
P2 Li1 2.936(5) 7_665 ?
O1 P1 1.495(2) 3_656 ?
O1 Sr2 2.873(2) 1_556 ?
O1 Cs1 3.644(2) 3_656 ?
O2 B1 1.509(4) 2_664 ?
O2 Sr2 2.865(2) 3_645 ?
O2 Cs2 3.484(2) 2_564 ?
O3 Sr1 2.487(2) 3_656 ?
O4 B1 1.474(4) 10_646 ?
O4 Cs2 3.141(2) 2_564 ?
O5 Li1 1.945(6) 5 ?
O5 Sr1 2.547(2) 3_656 ?
O7 B1 1.440(4) 9 ?
O7 Cs2 3.748(2) 4_567 ?
O8 Li1 1.922(6) 7_665 ?
O8 Sr2 2.556(2) 1_556 ?
O8 Cs2 3.725(2) 4_567 ?

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
O6 Cs1 O6 110.30(3) 10_646 . ?
O6 Cs1 O6 110.30(3) 10_646 7_665 ?
O6 Cs1 O6 110.30(3) . 7_665 ?
O6 Cs1 O5 84.64(5) 10_646 10_646 ?
O6 Cs1 O5 164.84(5) . 10_646 ?
O6 Cs1 O5 64.71(5) 7_665 10_646 ?
O6 Cs1 O5 64.71(5) 10_646 . ?
O6 Cs1 O5 84.64(5) . . ?
O6 Cs1 O5 164.84(5) 7_665 . ?
O5 Cs1 O5 100.20(5) 10_646 . ?
O6 Cs1 O5 164.84(5) 10_646 7_665 ?
O6 Cs1 O5 64.71(5) . 7_665 ?
O6 Cs1 O5 84.64(5) 7_665 7_665 ?
O5 Cs1 O5 100.20(5) 10_646 7_665 ?
O5 Cs1 O5 100.20(5) . 7_665 ?
O6 Cs1 O3 126.97(5) 10_646 7_665 ?
O6 Cs1 O3 66.27(5) . 7_665 ?
O6 Cs1 O3 44.03(5) 7_665 7_665 ?
O5 Cs1 O3 107.25(5) 10_646 7_665 ?
O5 Cs1 O3 150.76(5) . 7_665 ?
O5 Cs1 O3 65.55(5) 7_665 7_665 ?
O6 Cs1 O3 44.03(5) 10_646 10_646 ?
O6 Cs1 O3 126.97(5) . 10_646 ?
O6 Cs1 O3 66.27(5) 7_665 10_646 ?
O5 Cs1 O3 65.55(5) 10_646 10_646 ?
O5 Cs1 O3 107.25(5) . 10_646 ?
O5 Cs1 O3 150.76(5) 7_665 10_646 ?
O3 Cs1 O3 93.35(5) 7_665 10_646 ?
O6 Cs1 O3 66.27(5) 10_646 . ?
O6 Cs1 O3 44.03(5) . . ?
O6 Cs1 O3 126.97(5) 7_665 . ?
O5 Cs1 O3 150.76(5) 10_646 . ?
O5 Cs1 O3 65.55(5) . . ?
O5 Cs1 O3 107.25(5) 7_665 . ?
O3 Cs1 O3 93.35(5) 7_665 . ?
O3 Cs1 O3 93.35(5) 10_646 . ?
O6 Cs1 O1 60.60(5) 10_646 3_646 ?
O6 Cs1 O1 126.55(5) . 3_646 ?
O6 Cs1 O1 122.38(5) 7_665 3_646 ?
O5 Cs1 O1 57.97(5) 10_646 3_646 ?
O5 Cs1 O1 42.46(5) . 3_646 ?
O5 Cs1 O1 109.78(5) 7_665 3_646 ?
O3 Cs1 O1 164.38(5) 7_665 3_646 ?
O3 Cs1 O1 84.96(5) 10_646 3_646 ?
O3 Cs1 O1 102.25(5) . 3_646 ?
O6 Cs1 O1 126.55(5) 10_646 12_665 ?
O6 Cs1 O1 122.38(5) . 12_665 ?
O6 Cs1 O1 60.60(5) 7_665 12_665 ?
O5 Cs1 O1 42.46(5) 10_646 12_665 ?
O5 Cs1 O1 109.78(5) . 12_665 ?
O5 Cs1 O1 57.97(5) 7_665 12_665 ?
O3 Cs1 O1 84.96(5) 7_665 12_665 ?
O3 Cs1 O1 102.25(5) 10_646 12_665 ?
O3 Cs1 O1 164.38(5) . 12_665 ?
O1 Cs1 O1 80.26(5) 3_646 12_665 ?
O6 Cs1 O1 122.38(5) 10_646 5 ?
O6 Cs1 O1 60.60(5) . 5 ?
O6 Cs1 O1 126.55(5) 7_665 5 ?
O5 Cs1 O1 109.78(5) 10_646 5 ?
O5 Cs1 O1 57.97(5) . 5 ?
O5 Cs1 O1 42.46(5) 7_665 5 ?
O3 Cs1 O1 102.25(5) 7_665 5 ?
O3 Cs1 O1 164.38(5) 10_646 5 ?
O3 Cs1 O1 84.96(5) . 5 ?
O1 Cs1 O1 80.26(5) 3_646 5 ?
O1 Cs1 O1 80.26(5) 12_665 5 ?
O4 Cs2 O4 59.03(6) 7_565 12_565 ?
O4 Cs2 O4 59.03(6) 7_565 2_565 ?
O4 Cs2 O4 59.03(6) 12_565 2_565 ?
O4 Cs2 O1 157.46(5) 7_565 . ?
O4 Cs2 O1 98.65(6) 12_565 . ?
O4 Cs2 O1 108.55(5) 2_565 . ?
O4 Cs2 O1 98.65(6) 7_565 11_466 ?
O4 Cs2 O1 108.55(5) 12_565 11_466 ?
O4 Cs2 O1 157.46(5) 2_565 11_466 ?
O1 Cs2 O1 91.29(5) . 11_466 ?
O4 Cs2 O1 108.55(5) 7_565 8_656 ?
O4 Cs2 O1 157.46(5) 12_565 8_656 ?
O4 Cs2 O1 98.65(6) 2_565 8_656 ?
O1 Cs2 O1 91.29(5) . 8_656 ?
O1 Cs2 O1 91.29(5) 11_466 8_656 ?
O4 Cs2 O2 43.03(5) 7_565 7_565 ?
O4 Cs2 O2 42.01(5) 12_565 7_565 ?
O4 Cs2 O2 85.86(5) 2_565 7_565 ?
O1 Cs2 O2 122.95(5) . 7_565 ?
O1 Cs2 O2 74.11(5) 11_466 7_565 ?
O1 Cs2 O2 142.25(5) 8_656 7_565 ?
O4 Cs2 O2 42.01(5) 7_565 2_565 ?
O4 Cs2 O2 85.86(5) 12_565 2_565 ?
O4 Cs2 O2 43.03(5) 2_565 2_565 ?
O1 Cs2 O2 142.25(5) . 2_565 ?
O1 Cs2 O2 122.95(5) 11_466 2_565 ?
O1 Cs2 O2 74.11(5) 8_656 2_565 ?
O2 Cs2 O2 84.89(5) 7_565 2_565 ?
O4 Cs2 O2 85.86(5) 7_565 12_565 ?
O4 Cs2 O2 43.03(5) 12_565 12_565 ?
O4 Cs2 O2 42.01(5) 2_565 12_565 ?
O1 Cs2 O2 74.11(5) . 12_565 ?
O1 Cs2 O2 142.25(5) 11_466 12_565 ?
O1 Cs2 O2 122.95(5) 8_656 12_565 ?
O2 Cs2 O2 84.89(5) 7_565 12_565 ?
O2 Cs2 O2 84.89(5) 2_565 12_565 ?
O4 Cs2 B1 23.10(6) 7_565 1_455 ?
O4 Cs2 B1 79.79(7) 12_565 1_455 ?
O4 Cs2 B1 58.45(6) 2_565 1_455 ?
O1 Cs2 B1 165.82(6) . 1_455 ?
O1 Cs2 B1 102.60(6) 11_466 1_455 ?
O1 Cs2 B1 85.63(6) 8_656 1_455 ?
O2 Cs2 B1 64.81(6) 7_565 1_455 ?
O2 Cs2 B1 24.03(6) 2_565 1_455 ?
O2 Cs2 B1 95.98(6) 12_565 1_455 ?
O4 Cs2 B1 58.45(6) 7_565 8_646 ?
O4 Cs2 B1 23.10(6) 12_565 8_646 ?
O4 Cs2 B1 79.79(7) 2_565 8_646 ?
O1 Cs2 B1 102.60(6) . 8_646 ?
O1 Cs2 B1 85.63(6) 11_466 8_646 ?
O1 Cs2 B1 165.82(6) 8_656 8_646 ?
O2 Cs2 B1 24.03(6) 7_565 8_646 ?
O2 Cs2 B1 95.98(6) 2_565 8_646 ?
O2 Cs2 B1 64.81(6) 12_565 8_646 ?
B1 Cs2 B1 81.55(8) 1_455 8_646 ?
O4 Cs2 B1 79.79(7) 7_565 11_467 ?
O4 Cs2 B1 58.45(6) 12_565 11_467 ?
O4 Cs2 B1 23.10(6) 2_565 11_467 ?
O1 Cs2 B1 85.63(6) . 11_467 ?
O1 Cs2 B1 165.82(6) 11_466 11_467 ?
O1 Cs2 B1 102.60(6) 8_656 11_467 ?
O2 Cs2 B1 95.98(6) 7_565 11_467 ?
O2 Cs2 B1 64.81(6) 2_565 11_467 ?
O2 Cs2 B1 24.03(6) 12_565 11_467 ?
B1 Cs2 B1 81.55(8) 1_455 11_467 ?
B1 Cs2 B1 81.55(8) 8_646 11_467 ?
O3 Sr1 O3 88.82(8) 8_646 10_646 ?
O3 Sr1 O3 88.82(8) 8_646 3_646 ?
O3 Sr1 O3 88.82(8) 10_646 3_646 ?
O3 Sr1 O5 70.33(7) 8_646 3_646 ?
O3 Sr1 O5 159.15(7) 10_646 3_646 ?
O3 Sr1 O5 91.00(7) 3_646 3_646 ?
O3 Sr1 O5 91.00(7) 8_646 8_646 ?
O3 Sr1 O5 70.33(7) 10_646 8_646 ?
O3 Sr1 O5 159.15(7) 3_646 8_646 ?
O5 Sr1 O5 108.55(5) 3_646 8_646 ?
O3 Sr1 O5 159.15(7) 8_646 10_646 ?
O3 Sr1 O5 91.00(7) 10_646 10_646 ?
O3 Sr1 O5 70.33(7) 3_646 10_646 ?
O5 Sr1 O5 108.55(5) 3_646 10_646 ?
O5 Sr1 O5 108.55(5) 8_646 10_646 ?
O3 Sr1 Li1 34.65(10) 8_646 8_646 ?
O3 Sr1 Li1 123.39(11) 10_646 8_646 ?
O3 Sr1 Li1 91.70(11) 3_646 8_646 ?
O5 Sr1 Li1 35.77(10) 3_646 8_646 ?
O5 Sr1 Li1 99.93(11) 8_646 8_646 ?
O5 Sr1 Li1 141.47(11) 10_646 8_646 ?
O3 Sr1 Li1 91.70(11) 8_646 10_646 ?
O3 Sr1 Li1 34.65(10) 10_646 10_646 ?
O3 Sr1 Li1 123.39(11) 3_646 10_646 ?
O5 Sr1 Li1 141.47(11) 3_646 10_646 ?
O5 Sr1 Li1 35.77(10) 8_646 10_646 ?
O5 Sr1 Li1 99.93(11) 10_646 10_646 ?
Li1 Sr1 Li1 118.15(4) 8_646 10_646 ?
O3 Sr1 Li1 123.39(11) 8_646 3_646 ?
O3 Sr1 Li1 91.70(11) 10_646 3_646 ?
O3 Sr1 Li1 34.65(10) 3_646 3_646 ?
O5 Sr1 Li1 99.93(11) 3_646 3_646 ?
O5 Sr1 Li1 141.47(11) 8_646 3_646 ?
O5 Sr1 Li1 35.77(10) 10_646 3_646 ?
Li1 Sr1 Li1 118.15(4) 8_646 3_646 ?
Li1 Sr1 Li1 118.15(4) 10_646 3_646 ?
O3 Sr1 P1 99.97(5) 8_646 8_646 ?
O3 Sr1 P1 90.94(5) 10_646 8_646 ?
O3 Sr1 P1 171.21(5) 3_646 8_646 ?
O5 Sr1 P1 92.34(5) 3_646 8_646 ?
O5 Sr1 P1 22.22(5) 8_646 8_646 ?
O5 Sr1 P1 100.89(5) 10_646 8_646 ?
Li1 Sr1 P1 95.76(9) 8_646 8_646 ?
Li1 Sr1 P1 56.45(9) 10_646 8_646 ?
Li1 Sr1 P1 136.60(9) 3_646 8_646 ?
O3 Sr1 P1 90.94(5) 8_646 3_646 ?
O3 Sr1 P1 171.21(5) 10_646 3_646 ?
O3 Sr1 P1 99.97(5) 3_646 3_646 ?
O5 Sr1 P1 22.22(5) 3_646 3_646 ?
O5 Sr1 P1 100.89(5) 8_646 3_646 ?
O5 Sr1 P1 92.34(5) 10_646 3_646 ?
Li1 Sr1 P1 56.45(9) 8_646 3_646 ?
Li1 Sr1 P1 136.60(9) 10_646 3_646 ?
Li1 Sr1 P1 95.76(9) 3_646 3_646 ?
P1 Sr1 P1 80.44(2) 8_646 3_646 ?
O3 Sr1 P1 171.21(5) 8_646 10_646 ?
O3 Sr1 P1 99.97(5) 10_646 10_646 ?
O3 Sr1 P1 90.94(5) 3_646 10_646 ?
O5 Sr1 P1 100.89(5) 3_646 10_646 ?
O5 Sr1 P1 92.34(5) 8_646 10_646 ?
O5 Sr1 P1 22.22(5) 10_646 10_646 ?
Li1 Sr1 P1 136.60(9) 8_646 10_646 ?
Li1 Sr1 P1 95.76(9) 10_646 10_646 ?
Li1 Sr1 P1 56.45(9) 3_646 10_646 ?
P1 Sr1 P1 80.44(2) 8_646 10_646 ?
P1 Sr1 P1 80.44(2) 3_646 10_646 ?
O8 Sr2 O8 81.60(7) 10_645 7_664 ?
O8 Sr2 O8 81.60(7) 10_645 1_554 ?
O8 Sr2 O8 81.60(7) 7_664 1_554 ?
O8 Sr2 O2 84.66(7) 10_645 12_564 ?
O8 Sr2 O2 112.54(6) 7_664 12_564 ?
O8 Sr2 O2 158.60(6) 1_554 12_564 ?
O8 Sr2 O2 158.60(6) 10_645 5 ?
O8 Sr2 O2 84.66(7) 7_664 5 ?
O8 Sr2 O2 112.54(6) 1_554 5 ?
O2 Sr2 O2 85.58(6) 12_564 5 ?
O8 Sr2 O2 112.54(6) 10_645 3_655 ?
O8 Sr2 O2 158.60(6) 7_664 3_655 ?
O8 Sr2 O2 84.66(7) 1_554 3_655 ?
O2 Sr2 O2 85.58(6) 12_564 3_655 ?
O2 Sr2 O2 85.58(6) 5 3_655 ?
O8 Sr2 O1 68.50(7) 10_645 10_645 ?
O8 Sr2 O1 63.35(6) 7_664 10_645 ?
O8 Sr2 O1 136.11(6) 1_554 10_645 ?
O2 Sr2 O1 50.22(6) 12_564 10_645 ?
O2 Sr2 O1 90.68(6) 5 10_645 ?
O2 Sr2 O1 135.80(6) 3_655 10_645 ?
O8 Sr2 O1 136.11(6) 10_645 7_664 ?
O8 Sr2 O1 68.50(7) 7_664 7_664 ?
O8 Sr2 O1 63.35(6) 1_554 7_664 ?
O2 Sr2 O1 135.80(6) 12_564 7_664 ?
O2 Sr2 O1 50.22(6) 5 7_664 ?
O2 Sr2 O1 90.68(6) 3_655 7_664 ?
O1 Sr2 O1 119.773(7) 10_645 7_664 ?
O8 Sr2 O1 63.35(6) 10_645 1_554 ?
O8 Sr2 O1 136.11(6) 7_664 1_554 ?
O8 Sr2 O1 68.50(7) 1_554 1_554 ?
O2 Sr2 O1 90.68(6) 12_564 1_554 ?
O2 Sr2 O1 135.80(6) 5 1_554 ?
O2 Sr2 O1 50.22(6) 3_655 1_554 ?
O1 Sr2 O1 119.773(7) 10_645 1_554 ?
O1 Sr2 O1 119.773(7) 7_664 1_554 ?
O8 Sr2 Li1 60.51(10) 10_645 10_645 ?
O8 Sr2 Li1 33.44(10) 7_664 10_645 ?
O8 Sr2 Li1 103.16(11) 1_554 10_645 ?
O2 Sr2 Li1 83.96(10) 12_564 10_645 ?
O2 Sr2 Li1 99.55(10) 5 10_645 ?
O2 Sr2 Li1 167.95(10) 3_655 10_645 ?
O1 Sr2 Li1 34.11(10) 10_645 10_645 ?
O1 Sr2 Li1 100.99(10) 7_664 10_645 ?
O1 Sr2 Li1 123.86(9) 1_554 10_645 ?
O8 Sr2 Li1 103.16(11) 10_645 7_664 ?
O8 Sr2 Li1 60.51(10) 7_664 7_664 ?
O8 Sr2 Li1 33.44(10) 1_554 7_664 ?
O2 Sr2 Li1 167.95(10) 12_564 7_664 ?
O2 Sr2 Li1 83.96(10) 5 7_664 ?
O2 Sr2 Li1 99.55(10) 3_655 7_664 ?
O1 Sr2 Li1 123.86(9) 10_645 7_664 ?
O1 Sr2 Li1 34.11(10) 7_664 7_664 ?
O1 Sr2 Li1 100.99(10) 1_554 7_664 ?
Li1 Sr2 Li1 91.87(13) 10_645 7_664 ?
O8 Sr2 Li1 33.44(10) 10_645 1_554 ?
O8 Sr2 Li1 103.16(11) 7_664 1_554 ?
O8 Sr2 Li1 60.51(10) 1_554 1_554 ?
O2 Sr2 Li1 99.55(10) 12_564 1_554 ?
O2 Sr2 Li1 167.95(10) 5 1_554 ?
O2 Sr2 Li1 83.96(10) 3_655 1_554 ?
O1 Sr2 Li1 100.99(10) 10_645 1_554 ?
O1 Sr2 Li1 123.86(10) 7_664 1_554 ?
O1 Sr2 Li1 34.11(10) 1_554 1_554 ?
Li1 Sr2 Li1 91.87(13) 10_645 1_554 ?
Li1 Sr2 Li1 91.87(13) 7_664 1_554 ?
O3 Li1 O8 114.6(3) . 10_646 ?
O3 Li1 O1 105.9(3) . . ?
O8 Li1 O1 96.1(3) 10_646 . ?
O3 Li1 O5 97.8(2) . 9 ?
O8 Li1 O5 121.8(3) 10_646 9 ?
O1 Li1 O5 120.7(3) . 9 ?
O3 Li1 P2 27.22(11) . . ?
O8 Li1 P2 103.3(2) 10_646 . ?
O1 Li1 P2 83.12(19) . . ?
O5 Li1 P2 123.0(2) 9 . ?
O3 Li1 P2 112.2(2) . 10_646 ?
O8 Li1 P2 27.14(10) 10_646 10_646 ?
O1 Li1 P2 121.1(2) . 10_646 ?
O5 Li1 P2 97.0(2) 9 10_646 ?
P2 Li1 P2 114.04(18) . 10_646 ?
O3 Li1 Sr1 48.00(13) . 3_656 ?
O8 Li1 Sr1 132.8(2) 10_646 3_656 ?
O1 Li1 Sr1 129.3(2) . 3_656 ?
O5 Li1 Sr1 49.93(13) 9 3_656 ?
P2 Li1 Sr1 74.39(12) . 3_656 ?
P2 Li1 Sr1 109.56(16) 10_646 3_656 ?
O3 Li1 Sr2 99.1(2) . 1_556 ?
O8 Li1 Sr2 47.13(14) 10_646 1_556 ?
O1 Li1 Sr2 56.63(15) . 1_556 ?
O5 Li1 Sr2 162.8(2) 9 1_556 ?
P2 Li1 Sr2 74.14(12) . 1_556 ?
P2 Li1 Sr2 73.97(12) 10_646 1_556 ?
Sr1 Li1 Sr2 146.59(17) 3_656 1_556 ?
O3 Li1 Cs2 166.0(3) . . ?
O8 Li1 Cs2 75.32(17) 10_646 . ?
O1 Li1 Cs2 61.97(15) . . ?
O5 Li1 Cs2 83.97(18) 9 . ?
P2 Li1 Cs2 144.34(18) . . ?
P2 Li1 Cs2 81.25(12) 10_646 . ?
Sr1 Li1 Cs2 132.97(16) 3_656 . ?
Sr2 Li1 Cs2 80.28(11) 1_556 . ?
O3 Li1 Cs1 101.5(2) . 3_656 ?
O8 Li1 Cs1 143.3(2) 10_646 3_656 ?
O1 Li1 Cs1 66.62(16) . 3_656 ?
O5 Li1 Cs1 55.59(15) 9 3_656 ?
P2 Li1 Cs1 106.20(14) . 3_656 ?
P2 Li1 Cs1 139.55(17) 10_646 3_656 ?
Sr1 Li1 Cs1 76.91(11) 3_656 3_656 ?
Sr2 Li1 Cs1 122.91(15) 1_556 3_656 ?
Cs2 Li1 Cs1 67.93(9) . 3_656 ?
O3 Li1 Cs1 53.10(15) . . ?
O8 Li1 Cs1 65.45(16) 10_646 . ?
O1 Li1 Cs1 129.8(2) . . ?
O5 Li1 Cs1 108.0(2) 9 . ?
P2 Li1 Cs1 59.41(10) . . ?
P2 Li1 Cs1 59.34(10) 10_646 . ?
Sr1 Li1 Cs1 74.25(10) 3_656 . ?
Sr2 Li1 Cs1 80.32(11) 1_556 . ?
Cs2 Li1 Cs1 139.54(14) . . ?
Cs1 Li1 Cs1 150.39(14) 3_656 . ?
O7 B1 O6 114.8(3) 5 . ?
O7 B1 O4 113.3(2) 5 7_665 ?
O6 B1 O4 107.4(2) . 7_665 ?
O7 B1 O2 102.4(2) 5 2_665 ?
O6 B1 O2 111.9(2) . 2_665 ?
O4 B1 O2 106.9(2) 7_665 2_665 ?
O7 B1 Cs2 80.83(16) 5 1_655 ?
O6 B1 Cs2 162.4(2) . 1_655 ?
O4 B1 Cs2 56.74(13) 7_665 1_655 ?
O2 B1 Cs2 70.05(14) 2_665 1_655 ?
O1 P1 O5 114.67(12) 3_646 . ?
O1 P1 O4 114.21(12) 3_646 . ?
O5 P1 O4 108.00(13) . . ?
O1 P1 O2 104.97(12) 3_646 . ?
O5 P1 O2 111.98(13) . . ?
O4 P1 O2 102.36(11) . . ?
O1 P1 Sr2 53.65(8) 3_646 3_645 ?
O5 P1 Sr2 144.53(10) . 3_645 ?
O4 P1 Sr2 106.97(9) . 3_645 ?
O2 P1 Sr2 53.91(8) . 3_645 ?
O1 P1 Sr1 146.32(9) 3_646 3_656 ?
O5 P1 Sr1 39.68(9) . 3_656 ?
O4 P1 Sr1 71.30(8) . 3_656 ?
O2 P1 Sr1 106.02(8) . 3_656 ?
Sr2 P1 Sr1 159.61(3) 3_645 3_656 ?
O1 P1 Cs1 70.42(8) 3_646 . ?
O5 P1 Cs1 56.19(8) . . ?
O4 P1 Cs1 97.74(8) . . ?
O2 P1 Cs1 159.34(9) . . ?
Sr2 P1 Cs1 123.97(2) 3_645 . ?
Sr1 P1 Cs1 75.925(16) 3_656 . ?
O1 P1 Cs2 116.28(9) 3_646 2_564 ?
O5 P1 Cs2 128.86(9) . 2_564 ?
O4 P1 Cs2 44.91(8) . 2_564 ?
O2 P1 Cs2 58.05(8) . 2_564 ?
Sr2 P1 Cs2 75.055(15) 3_645 2_564 ?
Sr1 P1 Cs2 91.418(19) 3_656 2_564 ?
Cs1 P1 Cs2 142.45(2) . 2_564 ?
O1 P1 Cs2 47.52(9) 3_646 3_646 ?
O5 P1 Cs2 75.76(9) . 3_646 ?
O4 P1 Cs2 157.19(8) . 3_646 ?
O2 P1 Cs2 96.62(8) . 3_646 ?
Sr2 P1 Cs2 74.366(15) 3_645 3_646 ?
Sr1 P1 Cs2 115.45(2) 3_656 3_646 ?
Cs1 P1 Cs2 65.046(14) . 3_646 ?
Cs2 P1 Cs2 148.35(2) 2_564 3_646 ?
O3 P2 O8 113.85(13) . . ?
O3 P2 O7 112.47(13) . . ?
O8 P2 O7 110.45(13) . . ?
O3 P2 O6 107.52(12) . . ?
O8 P2 O6 107.71(12) . . ?
O7 P2 O6 104.23(12) . . ?
O3 P2 Li1 35.30(14) . . ?
O8 P2 Li1 82.84(14) . . ?
O7 P2 Li1 111.55(14) . . ?
O6 P2 Li1 136.24(13) . . ?
O3 P2 Li1 136.63(14) . 7_665 ?
O8 P2 Li1 35.57(14) . 7_665 ?
O7 P2 Li1 108.75(14) . 7_665 ?
O6 P2 Li1 74.00(13) . 7_665 ?
Li1 P2 Li1 115.1(2) . 7_665 ?
O3 P2 Cs1 66.82(9) . . ?
O8 P2 Cs1 82.62(9) . . ?
O7 P2 Cs1 164.70(9) . . ?
O6 P2 Cs1 63.00(8) . . ?
Li1 P2 Cs1 77.10(11) . . ?
Li1 P2 Cs1 76.94(11) 7_665 . ?
P1 O1 Li1 155.8(2) 3_656 . ?
P1 O1 Sr2 101.57(10) 3_656 1_556 ?
Li1 O1 Sr2 89.27(18) . 1_556 ?
P1 O1 Cs2 112.86(11) 3_656 . ?
Li1 O1 Cs2 86.81(17) . . ?
Sr2 O1 Cs2 96.94(6) 1_556 . ?
P1 O1 Cs1 86.84(9) 3_656 3_656 ?
Li1 O1 Cs1 84.31(17) . 3_656 ?
Sr2 O1 Cs1 170.86(7) 1_556 3_656 ?
Cs2 O1 Cs1 76.26(4) . 3_656 ?
B1 O2 P1 126.94(19) 2_664 . ?
B1 O2 Sr2 132.94(16) 2_664 3_645 ?
P1 O2 Sr2 99.73(10) . 3_645 ?
B1 O2 Cs2 85.92(14) 2_664 2_564 ?
P1 O2 Cs2 99.40(9) . 2_564 ?
Sr2 O2 Cs2 92.79(6) 3_645 2_564 ?
P2 O3 Li1 117.5(2) . . ?
P2 O3 Sr1 141.66(13) . 3_656 ?
Li1 O3 Sr1 97.35(18) . 3_656 ?
P2 O3 Cs1 88.83(10) . . ?
Li1 O3 Cs1 99.97(19) . . ?
Sr1 O3 Cs1 101.07(7) 3_656 . ?
B1 O4 P1 135.49(19) 10_646 . ?
B1 O4 Cs2 100.16(15) 10_646 2_564 ?
P1 O4 Cs2 114.42(10) . 2_564 ?
P1 O5 Li1 139.0(2) . 5 ?
P1 O5 Sr1 118.10(12) . 3_656 ?
Li1 O5 Sr1 94.30(17) 5 3_656 ?
P1 O5 Cs1 101.29(10) . . ?
Li1 O5 Cs1 95.03(18) 5 . ?
Sr1 O5 Cs1 102.09(7) 3_656 . ?
B1 O6 P2 130.72(19) . . ?
B1 O6 Cs1 134.72(17) . . ?
P2 O6 Cs1 91.55(9) . . ?
B1 O7 P2 136.3(2) 9 . ?
B1 O7 Cs2 76.88(16) 9 4_567 ?
P2 O7 Cs2 103.17(10) . 4_567 ?
P2 O8 Li1 117.3(2) . 7_665 ?
P2 O8 Sr2 142.06(13) . 1_556 ?
Li1 O8 Sr2 99.43(18) 7_665 1_556 ?
P2 O8 Cs2 105.26(10) . 4_567 ?
Li1 O8 Cs2 74.74(17) 7_665 4_567 ?
Sr2 O8 Cs2 92.74(6) 1_556 4_567 ?
P2 O8 Cs1 74.03(8) . . ?
Li1 O8 Cs1 86.92(18) 7_665 . ?
Sr2 O8 Cs1 100.25(6) 1_556 . ?
Cs2 O8 Cs1 159.07(7) 4_567 . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.40
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.385
_refine_diff_density_min         -0.426
_refine_diff_density_rms         0.093
