# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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 1580064'
_audit_update_record             
;
2017-10-15 deposited with the CCDC.
2018-01-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            B2Cs2LaLiO6
_chemical_formula_weight         529.29

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'
Cs Cs -0.3680 2.1192 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   Pbcm

loop_
_symmetry_equiv_pos_as_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                   7.292(3)
_cell_length_b                   10.039(3)
_cell_length_c                   10.396(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     761.0(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    940
_cell_measurement_theta_min      2.79
_cell_measurement_theta_max      27.66

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.125
_exptl_crystal_size_mid          0.113
_exptl_crystal_size_min          0.090
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    4.619
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             912
_exptl_absorpt_coefficient_mu    15.017
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.9526
_exptl_absorpt_correction_T_max  0.9759
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            4376
_diffrn_reflns_av_R_equivalents  0.0276
_diffrn_reflns_av_sigmaI/netI    0.0222
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.79
_diffrn_reflns_theta_max         27.66
_reflns_number_total             940
_reflns_number_gt                892
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0167P)²+0.5658P] 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       0.0048(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         940
_refine_ls_number_parameters     66
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0183
_refine_ls_R_factor_gt           0.0164
_refine_ls_wR_factor_ref         0.0383
_refine_ls_wR_factor_gt          0.0376
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_restrained_S_all      1.117
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Li1 Li 0.0535(10) 0.3376(8) 0.2500 0.0142(15) Uani 1 2 d S . .
Cs1 Cs 0.22433(3) 0.07713(2) 0.44614(2) 0.02159(9) Uani 1 1 d . . .
La1 La 0.64263(3) 0.22651(2) 0.2500 0.00951(9) Uani 1 2 d S . .
B1 B 0.8149(8) 0.2500 0.0000 0.0131(10) Uani 1 2 d S . .
B2 B 0.6566(7) -0.0702(5) 0.2500 0.0120(10) Uani 1 2 d S . .
O1 O 0.4844(4) -0.0147(3) 0.2500 0.0167(7) Uani 1 2 d S . .
O2 O 0.3199(4) 0.2937(3) 0.2500 0.0148(7) Uani 1 2 d S . .
O5 O 0.6261(5) 0.2500 0.5000 0.0189(7) Uani 1 2 d S . .
O4 O 0.9046(3) 0.2895(2) 0.1101(2) 0.0156(5) Uani 1 1 d . . .
O3 O 0.8085(5) 0.0116(3) 0.2500 0.0206(7) Uani 1 2 d S . .


_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
Li1 O4 1.878(5) 1_455 ?
Li1 O4 1.878(5) 6_456 ?
Li1 O2 1.992(8) . ?
Li1 O3 2.016(8) 3_655 ?
Li1 B2 2.307(9) 3_655 ?
Li1 La1 3.197(8) 1_455 ?
Li1 Cs1 3.502(3) 4_556 ?
Li1 Cs1 3.502(3) 7_565 ?
Li1 Cs1 3.542(6) 6_556 ?
Li1 Cs1 3.542(6) . ?
Li1 Cs1 3.747(6) 8_565 ?
Li1 Cs1 3.747(6) 3 ?
Cs1 O1 2.933(2) . ?
Cs1 O2 3.061(2) . ?
Cs1 O4 3.093(3) 3_645 ?
Cs1 O4 3.183(2) 7_466 ?
Cs1 O4 3.213(2) 6_456 ?
Cs1 B2 3.2769(18) 5_656 ?
Cs1 O3 3.2910(14) 5_656 ?
Cs1 B1 3.3438(12) 2_655 ?
Cs1 O5 3.451(3) . ?
Cs1 O2 3.4854(17) 7_566 ?
Cs1 B1 3.498(5) 6_456 ?
Cs1 Li1 3.502(3) 7_566 ?
La1 O2 2.448(3) . ?
La1 O3 2.473(3) . ?
La1 O4 2.483(2) 6_556 ?
La1 O4 2.483(2) . ?
La1 O5 2.6126(9) . ?
La1 O5 2.6126(9) 6_556 ?
La1 O1 2.682(3) . ?
La1 O1 2.759(3) 3_655 ?
La1 B1 2.896(3) 6_556 ?
La1 B1 2.896(3) . ?
La1 B2 2.980(5) . ?
La1 B2 2.988(5) 3_655 ?
B1 O4 1.376(3) . ?
B1 O4 1.376(3) 4 ?
B1 O5 1.377(6) 6_556 ?
B1 La1 2.896(3) 7_565 ?
B1 Cs1 3.3438(12) 2_654 ?
B1 Cs1 3.3438(12) 3_655 ?
B1 Cs1 3.498(5) 7_665 ?
B1 Cs1 3.498(5) 6_656 ?
B2 O1 1.374(6) . ?
B2 O2 1.377(6) 3_645 ?
B2 O3 1.379(6) . ?
B2 Li1 2.307(9) 3_645 ?
B2 La1 2.988(5) 3_645 ?
B2 Cs1 3.2769(18) 5_656 ?
B2 Cs1 3.2769(18) 2_654 ?
O1 La1 2.759(3) 3_645 ?
O1 Cs1 2.933(2) 6_556 ?
O2 B2 1.377(6) 3_655 ?
O2 Cs1 3.061(2) 6_556 ?
O2 Cs1 3.4854(17) 4_556 ?
O2 Cs1 3.4854(17) 7_565 ?
O5 B1 1.377(6) 6_556 ?
O5 La1 2.6126(9) 7_566 ?
O5 Cs1 3.451(3) 4_556 ?
O5 Cs1 3.5055(15) 5_656 ?
O5 Cs1 3.5055(15) 8_665 ?
O4 Li1 1.878(5) 1_655 ?
O4 Cs1 3.093(3) 3_655 ?
O4 Cs1 3.183(2) 7_665 ?
O4 Cs1 3.213(2) 6_656 ?
O3 Li1 2.016(8) 3_645 ?
O3 Cs1 3.2910(14) 2_654 ?
O3 Cs1 3.2910(14) 5_656 ?
O3 Cs1 3.713(3) 1_655 ?
O3 Cs1 3.713(3) 6_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
O4 Li1 O4 101.5(4) 1_455 6_456 ?
O4 Li1 O2 120.4(3) 1_455 . ?
O4 Li1 O2 120.4(3) 6_456 . ?
O4 Li1 O3 120.8(3) 1_455 3_655 ?
O4 Li1 O3 120.8(3) 6_456 3_655 ?
O2 Li1 O3 72.8(3) . 3_655 ?
O4 Li1 B2 129.2(2) 1_455 3_655 ?
O4 Li1 B2 129.2(2) 6_456 3_655 ?
O2 Li1 B2 36.4(2) . 3_655 ?
O3 Li1 B2 36.4(2) 3_655 3_655 ?
O4 Li1 La1 50.8(2) 1_455 1_455 ?
O4 Li1 La1 50.8(2) 6_456 1_455 ?
O2 Li1 La1 146.8(4) . 1_455 ?
O3 Li1 La1 140.4(3) 3_655 1_455 ?
B2 Li1 La1 176.8(4) 3_655 1_455 ?
O4 Li1 Cs1 165.3(3) 1_455 4_556 ?
O4 Li1 Cs1 64.53(10) 6_456 4_556 ?
O2 Li1 Cs1 72.98(14) . 4_556 ?
O3 Li1 Cs1 67.09(12) 3_655 4_556 ?
B2 Li1 Cs1 64.92(12) 3_655 4_556 ?
La1 Li1 Cs1 114.75(12) 1_455 4_556 ?
O4 Li1 Cs1 64.53(10) 1_455 7_565 ?
O4 Li1 Cs1 165.3(3) 6_456 7_565 ?
O2 Li1 Cs1 72.98(14) . 7_565 ?
O3 Li1 Cs1 67.09(12) 3_655 7_565 ?
B2 Li1 Cs1 64.92(12) 3_655 7_565 ?
La1 Li1 Cs1 114.75(12) 1_455 7_565 ?
Cs1 Li1 Cs1 128.9(2) 4_556 7_565 ?
O4 Li1 Cs1 64.37(18) 1_455 6_556 ?
O4 Li1 Cs1 117.3(3) 6_456 6_556 ?
O2 Li1 Cs1 59.57(17) . 6_556 ?
O3 Li1 Cs1 117.7(2) 3_655 6_556 ?
B2 Li1 Cs1 88.5(2) 3_655 6_556 ?
La1 Li1 Cs1 94.12(17) 1_455 6_556 ?
Cs1 Li1 Cs1 125.1(2) 4_556 6_556 ?
Cs1 Li1 Cs1 62.36(7) 7_565 6_556 ?
O4 Li1 Cs1 117.3(3) 1_455 . ?
O4 Li1 Cs1 64.37(18) 6_456 . ?
O2 Li1 Cs1 59.57(17) . . ?
O3 Li1 Cs1 117.7(2) 3_655 . ?
B2 Li1 Cs1 88.5(2) 3_655 . ?
La1 Li1 Cs1 94.12(17) 1_455 . ?
Cs1 Li1 Cs1 62.36(7) 4_556 . ?
Cs1 Li1 Cs1 125.1(2) 7_565 . ?
Cs1 Li1 Cs1 70.29(14) 6_556 . ?
O4 Li1 Cs1 105.9(3) 1_455 8_565 ?
O4 Li1 Cs1 55.35(18) 6_456 8_565 ?
O2 Li1 Cs1 132.0(2) . 8_565 ?
O3 Li1 Cs1 73.4(2) 3_655 8_565 ?
B2 Li1 Cs1 103.8(2) 3_655 8_565 ?
La1 Li1 Cs1 73.58(14) 1_455 8_565 ?
Cs1 Li1 Cs1 62.91(7) 4_556 8_565 ?
Cs1 Li1 Cs1 121.8(2) 7_565 8_565 ?
Cs1 Li1 Cs1 167.7(2) 6_556 8_565 ?
Cs1 Li1 Cs1 110.52(4) . 8_565 ?
O4 Li1 Cs1 55.35(18) 1_455 3 ?
O4 Li1 Cs1 105.9(3) 6_456 3 ?
O2 Li1 Cs1 132.0(2) . 3 ?
O3 Li1 Cs1 73.4(2) 3_655 3 ?
B2 Li1 Cs1 103.8(2) 3_655 3 ?
La1 Li1 Cs1 73.58(14) 1_455 3 ?
Cs1 Li1 Cs1 121.8(2) 4_556 3 ?
Cs1 Li1 Cs1 62.91(7) 7_565 3 ?
Cs1 Li1 Cs1 110.52(4) 6_556 3 ?
Cs1 Li1 Cs1 167.7(2) . 3 ?
Cs1 Li1 Cs1 65.93(13) 8_565 3 ?
O1 Cs1 O2 67.21(8) . . ?
O1 Cs1 O4 76.81(8) . 3_645 ?
O2 Cs1 O4 127.33(6) . 3_645 ?
O1 Cs1 O4 167.92(6) . 7_466 ?
O2 Cs1 O4 102.98(7) . 7_466 ?
O4 Cs1 O4 105.75(5) 3_645 7_466 ?
O1 Cs1 O4 123.44(6) . 6_456 ?
O2 Cs1 O4 64.71(7) . 6_456 ?
O4 Cs1 O4 111.38(4) 3_645 6_456 ?
O4 Cs1 O4 44.50(8) 7_466 6_456 ?
O1 Cs1 B2 119.49(10) . 5_656 ?
O2 Cs1 B2 126.66(10) . 5_656 ?
O4 Cs1 B2 104.05(10) 3_645 5_656 ?
O4 Cs1 B2 71.75(10) 7_466 5_656 ?
O4 Cs1 B2 112.44(10) 6_456 5_656 ?
O1 Cs1 O3 129.00(8) . 5_656 ?
O2 Cs1 O3 148.03(7) . 5_656 ?
O4 Cs1 O3 84.63(7) 3_645 5_656 ?
O4 Cs1 O3 63.05(7) 7_466 5_656 ?
O4 Cs1 O3 107.55(7) 6_456 5_656 ?
B2 Cs1 O3 24.23(11) 5_656 5_656 ?
O1 Cs1 B1 82.14(9) . 2_655 ?
O2 Cs1 B1 145.95(5) . 2_655 ?
O4 Cs1 B1 24.29(7) 3_645 2_655 ?
O4 Cs1 B1 105.12(9) 7_466 2_655 ?
O4 Cs1 B1 128.32(11) 6_456 2_655 ?
B2 Cs1 B1 80.81(9) 5_656 2_655 ?
O3 Cs1 B1 64.35(6) 5_656 2_655 ?
O1 Cs1 O5 73.86(7) . . ?
O2 Cs1 O5 63.74(5) . . ?
O4 Cs1 O5 139.31(5) 3_645 . ?
O4 Cs1 O5 108.86(5) 7_466 . ?
O4 Cs1 O5 108.18(6) 6_456 . ?
B2 Cs1 O5 68.25(9) 5_656 . ?
O3 Cs1 O5 92.41(6) 5_656 . ?
B1 Cs1 O5 122.65(9) 2_655 . ?
O1 Cs1 O2 128.15(8) . 7_566 ?
O2 Cs1 O2 107.10(4) . 7_566 ?
O4 Cs1 O2 125.42(6) 3_645 7_566 ?
O4 Cs1 O2 60.31(7) 7_466 7_566 ?
O4 Cs1 O2 93.62(7) 6_456 7_566 ?
B2 Cs1 O2 23.24(10) 5_656 7_566 ?
O3 Cs1 O2 41.00(8) 5_656 7_566 ?
B1 Cs1 O2 103.35(5) 2_655 7_566 ?
O5 Cs1 O2 59.73(5) . 7_566 ?
O1 Cs1 B1 144.97(4) . 6_456 ?
O2 Cs1 B1 87.06(7) . 6_456 ?
O4 Cs1 B1 103.54(7) 3_645 6_456 ?
O4 Cs1 B1 23.16(4) 7_466 6_456 ?
O4 Cs1 B1 23.17(4) 6_456 6_456 ?
B2 Cs1 B1 94.72(9) 5_656 6_456 ?
O3 Cs1 B1 85.33(6) 5_656 6_456 ?
B1 Cs1 B1 112.79(5) 2_655 6_456 ?
O5 Cs1 B1 116.68(6) . 6_456 ?
O2 Cs1 B1 80.85(6) 7_566 6_456 ?
O1 Cs1 Li1 159.05(12) . 7_566 ?
O2 Cs1 Li1 120.56(13) . 7_566 ?
O4 Cs1 Li1 106.89(13) 3_645 7_566 ?
O4 Cs1 Li1 32.19(12) 7_466 7_566 ?
O4 Cs1 Li1 75.16(12) 6_456 7_566 ?
B2 Cs1 Li1 39.63(15) 5_656 7_566 ?
O3 Cs1 Li1 34.35(13) 5_656 7_566 ?
B1 Cs1 Li1 93.35(13) 2_655 7_566 ?
O5 Cs1 Li1 91.88(12) . 7_566 ?
O2 Cs1 Li1 33.13(13) 7_566 7_566 ?
B1 Cs1 Li1 55.31(11) 6_456 7_566 ?
O2 La1 O3 135.27(11) . . ?
O2 La1 O4 132.03(7) . 6_556 ?
O3 La1 O4 81.13(8) . 6_556 ?
O2 La1 O4 132.03(7) . . ?
O3 La1 O4 81.13(8) . . ?
O4 La1 O4 71.74(11) 6_556 . ?
O2 La1 O5 86.03(7) . . ?
O3 La1 O5 95.82(4) . . ?
O4 La1 O5 55.22(9) 6_556 . ?
O4 La1 O5 126.54(9) . . ?
O2 La1 O5 86.03(7) . 6_556 ?
O3 La1 O5 95.82(4) . 6_556 ?
O4 La1 O5 126.54(9) 6_556 6_556 ?
O4 La1 O5 55.22(9) . 6_556 ?
O5 La1 O5 168.36(7) . 6_556 ?
O2 La1 O1 80.51(10) . . ?
O3 La1 O1 54.75(10) . . ?
O4 La1 O1 124.11(7) 6_556 . ?
O4 La1 O1 124.11(7) . . ?
O5 La1 O1 93.53(3) . . ?
O5 La1 O1 93.53(3) 6_556 . ?
O2 La1 O1 54.39(10) . 3_655 ?
O3 La1 O1 170.34(10) . 3_655 ?
O4 La1 O1 91.06(8) 6_556 3_655 ?
O4 La1 O1 91.06(8) . 3_655 ?
O5 La1 O1 84.23(2) . 3_655 ?
O5 La1 O1 84.23(2) 6_556 3_655 ?
O1 La1 O1 134.90(2) . 3_655 ?
O2 La1 B1 113.24(10) . 6_556 ?
O3 La1 B1 81.89(6) . 6_556 ?
O4 La1 B1 28.33(10) 6_556 6_556 ?
O4 La1 B1 99.86(11) . 6_556 ?
O5 La1 B1 28.35(12) . 6_556 ?
O5 La1 B1 154.87(12) 6_556 6_556 ?
O1 La1 B1 105.08(4) . 6_556 ?
O1 La1 B1 93.95(5) 3_655 6_556 ?
O2 La1 B1 113.24(10) . . ?
O3 La1 B1 81.89(6) . . ?
O4 La1 B1 99.86(11) 6_556 . ?
O4 La1 B1 28.33(10) . . ?
O5 La1 B1 154.87(12) . . ?
O5 La1 B1 28.35(12) 6_556 . ?
O1 La1 B1 105.08(4) . . ?
O1 La1 B1 93.95(5) 3_655 . ?
B1 La1 B1 127.6(2) 6_556 . ?
O2 La1 B2 107.96(13) . . ?
O3 La1 B2 27.31(13) . . ?
O4 La1 B2 103.18(10) 6_556 . ?
O4 La1 B2 103.18(10) . . ?
O5 La1 B2 95.268(8) . . ?
O5 La1 B2 95.268(8) 6_556 . ?
O1 La1 B2 27.44(12) . . ?
O1 La1 B2 162.35(12) 3_655 . ?
B1 La1 B2 93.81(5) 6_556 . ?
B1 La1 B2 93.81(5) . . ?
O2 La1 B2 27.10(12) . 3_655 ?
O3 La1 B2 162.36(13) . 3_655 ?
O4 La1 B2 112.83(10) 6_556 3_655 ?
O4 La1 B2 112.83(10) . 3_655 ?
O5 La1 B2 84.53(5) . 3_655 ?
O5 La1 B2 84.53(5) 6_556 3_655 ?
O1 La1 B2 107.61(12) . 3_655 ?
O1 La1 B2 27.30(12) 3_655 3_655 ?
B1 La1 B2 105.14(8) 6_556 3_655 ?
B1 La1 B2 105.14(8) . 3_655 ?
B2 La1 B2 135.05(8) . 3_655 ?
O4 B1 O4 123.3(5) . 4 ?
O4 B1 O5 118.4(2) . 6_556 ?
O4 B1 O5 118.4(2) 4 6_556 ?
O4 B1 La1 158.25(10) . 7_565 ?
O4 B1 La1 58.89(14) 4 7_565 ?
O5 B1 La1 64.29(10) 6_556 7_565 ?
O4 B1 La1 58.89(14) . . ?
O4 B1 La1 158.25(10) 4 . ?
O5 B1 La1 64.29(10) 6_556 . ?
La1 B1 La1 128.6(2) 7_565 . ?
O4 B1 Cs1 117.56(12) . 2_654 ?
O4 B1 Cs1 67.59(10) 4 2_654 ?
O5 B1 Cs1 85.09(10) 6_556 2_654 ?
La1 B1 Cs1 83.83(5) 7_565 2_654 ?
La1 B1 Cs1 91.90(5) . 2_654 ?
O4 B1 Cs1 67.59(10) . 3_655 ?
O4 B1 Cs1 117.56(12) 4 3_655 ?
O5 B1 Cs1 85.09(10) 6_556 3_655 ?
La1 B1 Cs1 91.90(5) 7_565 3_655 ?
La1 B1 Cs1 83.83(5) . 3_655 ?
Cs1 B1 Cs1 170.18(19) 2_654 3_655 ?
O4 B1 Cs1 65.5(2) . 7_665 ?
O4 B1 Cs1 66.7(2) 4 7_665 ?
O5 B1 Cs1 148.58(5) 6_556 7_665 ?
La1 B1 Cs1 100.73(6) 7_565 7_665 ?
La1 B1 Cs1 123.66(9) . 7_665 ?
Cs1 B1 Cs1 122.24(13) 2_654 7_665 ?
Cs1 B1 Cs1 67.21(5) 3_655 7_665 ?
O4 B1 Cs1 66.7(2) . 6_656 ?
O4 B1 Cs1 65.5(2) 4 6_656 ?
O5 B1 Cs1 148.58(5) 6_556 6_656 ?
La1 B1 Cs1 123.66(9) 7_565 6_656 ?
La1 B1 Cs1 100.73(6) . 6_656 ?
Cs1 B1 Cs1 67.21(5) 2_654 6_656 ?
Cs1 B1 Cs1 122.24(13) 3_655 6_656 ?
Cs1 B1 Cs1 62.84(10) 7_665 6_656 ?
O1 B2 O2 121.1(4) . 3_645 ?
O1 B2 O3 119.5(4) . . ?
O2 B2 O3 119.4(4) 3_645 . ?
O1 B2 Li1 179.7(4) . 3_645 ?
O2 B2 Li1 59.2(3) 3_645 3_645 ?
O3 B2 Li1 60.2(3) . 3_645 ?
O1 B2 La1 64.1(2) . . ?
O2 B2 La1 174.8(3) 3_645 . ?
O3 B2 La1 55.4(2) . . ?
Li1 B2 La1 115.6(3) 3_645 . ?
O1 B2 La1 67.0(2) . 3_645 ?
O2 B2 La1 54.0(2) 3_645 3_645 ?
O3 B2 La1 173.5(4) . 3_645 ?
Li1 B2 La1 113.3(3) 3_645 3_645 ?
La1 B2 La1 131.12(19) . 3_645 ?
O1 B2 Cs1 104.52(9) . 5_656 ?
O2 B2 Cs1 86.91(11) 3_645 5_656 ?
O3 B2 Cs1 78.46(10) . 5_656 ?
Li1 B2 Cs1 75.45(9) 3_645 5_656 ?
La1 B2 Cs1 91.74(9) . 5_656 ?
La1 B2 Cs1 100.31(9) 3_645 5_656 ?
O1 B2 Cs1 104.52(9) . 2_654 ?
O2 B2 Cs1 86.91(11) 3_645 2_654 ?
O3 B2 Cs1 78.46(10) . 2_654 ?
Li1 B2 Cs1 75.45(9) 3_645 2_654 ?
La1 B2 Cs1 91.74(9) . 2_654 ?
La1 B2 Cs1 100.31(9) 3_645 2_654 ?
Cs1 B2 Cs1 149.18(18) 5_656 2_654 ?
B2 O1 La1 88.5(3) . . ?
B2 O1 La1 85.7(3) . 3_645 ?
La1 O1 La1 174.14(13) . 3_645 ?
B2 O1 Cs1 135.92(5) . 6_556 ?
La1 O1 Cs1 89.69(8) . 6_556 ?
La1 O1 Cs1 94.52(8) 3_645 6_556 ?
B2 O1 Cs1 135.92(5) . . ?
La1 O1 Cs1 89.69(8) . . ?
La1 O1 Cs1 94.52(8) 3_645 . ?
Cs1 O1 Cs1 88.09(9) 6_556 . ?
B2 O2 Li1 84.3(3) 3_655 . ?
B2 O2 La1 98.9(3) 3_655 . ?
Li1 O2 La1 176.8(3) . . ?
B2 O2 Cs1 137.13(7) 3_655 6_556 ?
Li1 O2 Cs1 86.28(18) . 6_556 ?
La1 O2 Cs1 91.33(8) . 6_556 ?
B2 O2 Cs1 137.13(7) 3_655 . ?
Li1 O2 Cs1 86.28(18) . . ?
La1 O2 Cs1 91.33(8) . . ?
Cs1 O2 Cs1 83.55(8) 6_556 . ?
B2 O2 Cs1 69.85(8) 3_655 4_556 ?
Li1 O2 Cs1 73.89(9) . 4_556 ?
La1 O2 Cs1 107.15(6) . 4_556 ?
Cs1 O2 Cs1 145.34(10) 6_556 4_556 ?
Cs1 O2 Cs1 67.35(3) . 4_556 ?
B2 O2 Cs1 69.85(8) 3_655 7_565 ?
Li1 O2 Cs1 73.89(9) . 7_565 ?
La1 O2 Cs1 107.15(6) . 7_565 ?
Cs1 O2 Cs1 67.35(3) 6_556 7_565 ?
Cs1 O2 Cs1 145.34(10) . 7_565 ?
Cs1 O2 Cs1 130.02(10) 4_556 7_565 ?
B1 O5 La1 87.35(7) 6_556 7_566 ?
B1 O5 La1 87.35(7) 6_556 . ?
La1 O5 La1 174.71(14) 7_566 . ?
B1 O5 Cs1 148.10(3) 6_556 . ?
La1 O5 Cs1 104.24(7) 7_566 . ?
La1 O5 Cs1 80.35(5) . . ?
B1 O5 Cs1 148.10(3) 6_556 4_556 ?
La1 O5 Cs1 80.35(5) 7_566 4_556 ?
La1 O5 Cs1 104.24(7) . 4_556 ?
Cs1 O5 Cs1 63.80(6) . 4_556 ?
B1 O5 Cs1 71.87(5) 6_556 5_656 ?
La1 O5 Cs1 84.91(3) 7_566 5_656 ?
La1 O5 Cs1 93.44(3) . 5_656 ?
Cs1 O5 Cs1 79.57(3) . 5_656 ?
Cs1 O5 Cs1 135.19(7) 4_556 5_656 ?
B1 O5 Cs1 71.87(5) 6_556 8_665 ?
La1 O5 Cs1 93.44(3) 7_566 8_665 ?
La1 O5 Cs1 84.91(3) . 8_665 ?
Cs1 O5 Cs1 135.19(7) . 8_665 ?
Cs1 O5 Cs1 79.57(3) 4_556 8_665 ?
Cs1 O5 Cs1 143.74(10) 5_656 8_665 ?
B1 O4 Li1 173.0(3) . 1_655 ?
B1 O4 La1 92.8(2) . . ?
Li1 O4 La1 93.2(2) 1_655 . ?
B1 O4 Cs1 88.12(12) . 3_655 ?
Li1 O4 Cs1 94.7(2) 1_655 3_655 ?
La1 O4 Cs1 96.58(7) . 3_655 ?
B1 O4 Cs1 91.4(2) . 7_665 ?
Li1 O4 Cs1 83.3(2) 1_655 7_665 ?
La1 O4 Cs1 169.81(10) . 7_665 ?
Cs1 O4 Cs1 74.25(5) 3_655 7_665 ?
B1 O4 Cs1 90.1(2) . 6_656 ?
Li1 O4 Cs1 83.8(2) 1_655 6_656 ?
La1 O4 Cs1 119.74(8) . 6_656 ?
Cs1 O4 Cs1 143.68(8) 3_655 6_656 ?
Cs1 O4 Cs1 69.53(5) 7_665 6_656 ?
B2 O3 Li1 83.4(4) . 3_645 ?
B2 O3 La1 97.3(3) . . ?
Li1 O3 La1 179.3(3) 3_645 . ?
B2 O3 Cs1 77.31(7) . 2_654 ?
Li1 O3 Cs1 78.56(7) 3_645 2_654 ?
La1 O3 Cs1 101.57(6) . 2_654 ?
B2 O3 Cs1 77.31(7) . 5_656 ?
Li1 O3 Cs1 78.56(7) 3_645 5_656 ?
La1 O3 Cs1 101.57(6) . 5_656 ?
Cs1 O3 Cs1 147.44(11) 2_654 5_656 ?
B2 O3 Cs1 139.59(16) . 1_655 ?
Li1 O3 Cs1 75.3(2) 3_645 1_655 ?
La1 O3 Cs1 104.17(9) . 1_655 ?
Cs1 O3 Cs1 129.38(9) 2_654 1_655 ?
Cs1 O3 Cs1 65.17(3) 5_656 1_655 ?
B2 O3 Cs1 139.59(16) . 6_656 ?
Li1 O3 Cs1 75.3(2) 3_645 6_656 ?
La1 O3 Cs1 104.17(9) . 6_656 ?
Cs1 O3 Cs1 65.17(3) 2_654 6_656 ?
Cs1 O3 Cs1 129.38(9) 5_656 6_656 ?
Cs1 O3 Cs1 66.63(6) 1_655 6_656 ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.66
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.702
_refine_diff_density_min         -0.815
_refine_diff_density_rms         0.157
####################################################################### 
# 
# 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
_database_code_depnum_ccdc_archive 'CCDC 1580099'
_audit_update_record             
;
2017-10-16 deposited with the CCDC.
2018-01-29 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            B7K9La3Li3O21

_chemical_formula_weight         1201.12

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'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P2/c

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

_cell_length_a                   11.491(2)
_cell_length_b                   10.2132(18)
_cell_length_c                   12.425(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 121.580(8)
_cell_angle_gamma                90.00
_cell_volume                     1242.2(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    2855
_cell_measurement_theta_min      1.99
_cell_measurement_theta_max      27.59

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.127
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.094
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.211
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1678
_exptl_absorpt_coefficient_mu    6.663
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.9526
_exptl_absorpt_correction_T_max  0.9759
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18646
_diffrn_reflns_av_R_equivalents  0.0339
_diffrn_reflns_av_sigmaI/netI    0.0231
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         1.99
_diffrn_reflns_theta_max         27.59
_reflns_number_total             2855
_reflns_number_gt                2580
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0226P)²+1.1756P] 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       0.00232(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         2855
_refine_ls_number_parameters     207
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0228
_refine_ls_R_factor_gt           0.0197
_refine_ls_wR_factor_ref         0.0478
_refine_ls_wR_factor_gt          0.0461
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.003
_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
Li1 Li 0.5000 1.0636(8) 0.7500 0.0229(17) Uani 1 2 d S . .
Li2 Li 0.5841(7) 1.2907(6) 0.7044(8) 0.0435(19) Uani 1 1 d . . .
K1 K 0.0000 1.07859(9) 0.2500 0.01500(19) Uani 1 2 d S . .
K2 K 0.60982(7) 1.45814(7) 0.44407(7) 0.02126(16) Uani 1 1 d . . .
K3 K 0.17223(7) 0.92856(7) 0.08699(6) 0.01987(15) Uani 1 1 d . . .
K4 K -0.09344(7) 0.39167(7) 0.04959(7) 0.02369(17) Uani 1 1 d . . .
K5 K -0.33814(8) 0.90602(9) 0.05312(9) 0.0381(2) Uani 1 1 d . . .
La1 La 0.0000 0.68924(2) 0.2500 0.01057(7) Uani 1 2 d S . .
La2 La 0.283935(17) 1.297547(16) 0.254626(15) 0.01267(7) Uani 1 1 d . . .
B1 B 0.0949(3) 1.2143(3) -0.0013(3) 0.0136(7) Uani 1 1 d . . .
B2 B -0.2363(3) 0.5805(4) 0.2466(3) 0.0146(7) Uani 1 1 d . . .
B3 B 0.3689(4) 1.2243(4) 0.5070(3) 0.0218(8) Uani 1 1 d . . .
B4 B 0.5000 1.1511(6) 0.2500 0.0361(16) Uani 1 2 d S . .
O1 O 0.5000 1.2852(3) 0.2500 0.0214(7) Uani 1 2 d S . .
O2 O -0.2206(2) 0.7142(2) 0.2441(2) 0.0196(5) Uani 1 1 d . . .
O3 O -0.1365(2) 0.6582(2) 0.00372(18) 0.0191(5) Uani 1 1 d . . .
O4 O 0.0799(2) 1.1789(2) 0.09757(19) 0.0162(4) Uani 1 1 d . . .
O5 O -0.14604(19) 0.49615(19) 0.2397(2) 0.0188(5) Uani 1 1 d . . .
O6 O 0.3421(2) 1.5304(2) 0.2463(2) 0.0191(5) Uani 1 1 d . . .
O7 O -0.0694(2) 0.8694(2) 0.09813(19) 0.0165(5) Uani 1 1 d . . .
O8 O 0.2403(2) 1.1926(2) 0.4102(2) 0.0230(5) Uani 1 1 d . . .
O9 O 0.4494(2) 1.3052(2) 0.4847(2) 0.0239(5) Uani 1 1 d . . .
O10 O 0.6046(3) 1.0867(3) 0.2514(4) 0.0721(13) Uani 1 1 d . . .
O11A O 0.4082(5) 1.2090(4) 0.6367(5) 0.0130(10) Uani 0.50 1 d P . .
O11B O 0.4407(7) 1.1424(9) 0.6070(6) 0.073(3) Uani 0.50 1 d 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
Li1 O11B 1.732(7) 2_656 ?
Li1 O11B 1.732(7) . ?
Li1 O11A 1.935(8) 2_656 ?
Li1 O11A 1.935(8) . ?
Li1 O10 1.944(7) 4_576 ?
Li1 O10 1.944(7) 3_676 ?
Li1 B4 2.193(10) 3_676 ?
Li1 Li2 2.685(10) . ?
Li1 Li2 2.685(10) 2_656 ?
Li1 K3 3.2100(9) 3_676 ?
Li1 K3 3.2100(9) 4_576 ?
Li1 K5 3.591(4) 2 ?
Li2 O11A 1.926(8) . ?
Li2 O6 1.972(7) 3_686 ?
Li2 O2 2.030(7) 4_676 ?
Li2 O11B 2.094(10) . ?
Li2 O11A 2.102(10) 2_656 ?
Li2 B2 2.265(7) 4_676 ?
Li2 O9 2.333(9) . ?
Li2 B3 2.498(8) . ?
Li2 Li2 2.705(14) 2_656 ?
Li2 K5 3.182(7) 4_676 ?
Li2 K2 3.262(8) 3_686 ?
K1 O8 2.681(2) . ?
K1 O8 2.681(2) 2 ?
K1 O7 2.681(2) . ?
K1 O7 2.681(2) 2 ?
K1 O4 2.702(2) . ?
K1 O4 2.702(2) 2 ?
K1 K3 3.5741(11) 3_575 ?
K1 K3 3.5741(11) 4_576 ?
K1 K5 3.7726(11) . ?
K1 K5 3.7726(11) 2 ?
K1 K3 3.8165(9) . ?
K1 K3 3.8165(9) 2 ?
K2 O9 2.658(2) . ?
K2 O1 2.709(2) . ?
K2 O9 2.779(2) 3_686 ?
K2 O6 2.795(2) 2_655 ?
K2 O6 2.851(2) . ?
K2 O3 2.862(2) 4_676 ?
K2 B2 3.232(3) 4_676 ?
K2 Li2 3.262(8) 3_686 ?
K2 O5 3.284(2) 4_676 ?
K2 B3 3.285(4) 3_686 ?
K2 K4 3.3191(11) 4_676 ?
K2 K2 3.5645(15) 3_686 ?
K3 O10 2.797(3) 2_655 ?
K3 O4 2.798(2) . ?
K3 O4 2.810(2) 3_575 ?
K3 O11A 2.820(5) 4_575 ?
K3 O7 2.846(2) 3_575 ?
K3 O2 2.878(2) 2 ?
K3 O7 2.915(2) . ?
K3 O8 2.961(2) 4_575 ?
K3 B1 3.044(4) 3_575 ?
K3 O11B 3.049(7) 4_575 ?
K3 B1 3.081(4) . ?
K3 Li1 3.2100(9) 3_676 ?
K4 O3 2.772(3) . ?
K4 O4 2.793(2) 1_545 ?
K4 O5 2.832(2) 2 ?
K4 O8 2.849(2) 2_545 ?
K4 O5 2.929(2) . ?
K4 O3 3.084(2) 3_565 ?
K4 B1 3.130(4) 1_545 ?
K4 B2 3.237(3) 4_565 ?
K4 K2 3.3191(11) 4_475 ?
K4 B3 3.333(4) 2_545 ?
K4 O6 3.363(2) 3_575 ?
K4 K3 3.5759(11) 3_565 ?
K5 O2 2.817(2) . ?
K5 O7 2.860(2) . ?
K5 O11B 2.953(9) 2 ?
K5 O11B 2.989(10) 4_475 ?
K5 O9 3.027(3) 4_475 ?
K5 O8 3.083(3) 2 ?
K5 Li2 3.182(7) 4_475 ?
K5 B4 3.2630(16) 3_575 ?
K5 B3 3.313(4) 2 ?
K5 B3 3.378(4) 4_475 ?
K5 O10 3.401(4) 3_575 ?
K5 O10 3.407(4) 1_455 ?
La1 O7 2.451(2) 2 ?
La1 O7 2.451(2) . ?
La1 O2 2.511(2) 2 ?
La1 O2 2.511(2) . ?
La1 O5 2.549(2) . ?
La1 O5 2.549(2) 2 ?
La1 O3 2.626(2) . ?
La1 O3 2.626(2) 2 ?
La1 B1 2.860(3) 4_576 ?
La1 B1 2.860(3) 3_575 ?
La1 B2 2.914(3) 2 ?
La1 B2 2.914(3) . ?
La2 O4 2.446(2) . ?
La2 O9 2.470(2) . ?
La2 O8 2.480(2) . ?
La2 O6 2.487(2) . ?
La2 O1 2.5165(5) . ?
La2 O10 2.526(3) 2_655 ?
La2 O5 2.597(2) 2_565 ?
La2 O3 2.772(2) 3_575 ?
La2 B3 2.852(4) . ?
La2 B1 2.884(3) . ?
La2 B4 2.925(3) . ?
La2 B2 2.940(4) 2_565 ?
B1 O4 1.376(4) . ?
B1 O7 1.376(4) 3_575 ?
B1 O3 1.393(4) 3_575 ?
B1 La1 2.860(3) 3_575 ?
B1 K3 3.044(4) 3_575 ?
B1 K4 3.130(4) 1_565 ?
B1 K5 3.409(4) 3_575 ?
B2 O6 1.364(4) 2_545 ?
B2 O2 1.380(4) . ?
B2 O5 1.385(4) . ?
B2 Li2 2.265(7) 4_475 ?
B2 La2 2.940(4) 2_545 ?
B2 K2 3.232(3) 4_475 ?
B2 K4 3.237(3) 4_566 ?
B3 O11B 1.361(7) . ?
B3 O8 1.369(4) . ?
B3 O9 1.372(4) . ?
B3 O11A 1.437(6) . ?
B3 K2 3.285(4) 3_686 ?
B3 K3 3.300(4) 4_576 ?
B3 K5 3.313(4) 2 ?
B3 K4 3.333(4) 2_565 ?
B3 K5 3.378(4) 4_676 ?
B4 O10 1.362(4) 2_655 ?
B4 O10 1.362(4) . ?
B4 O1 1.369(6) . ?
B4 Li1 2.193(10) 3_676 ?
B4 La2 2.925(3) 2_655 ?
B4 K5 3.2630(16) 3_575 ?
B4 K5 3.2630(16) 4_676 ?
O1 La2 2.5165(5) 2_655 ?
O1 K2 2.709(2) 2_655 ?
O2 Li2 2.030(7) 4_475 ?
O2 K3 2.878(2) 2 ?
O3 B1 1.393(4) 3_575 ?
O3 La2 2.772(2) 3_575 ?
O3 K2 2.862(2) 4_475 ?
O3 K4 3.084(2) 3_565 ?
O4 K4 2.793(2) 1_565 ?
O4 K3 2.810(2) 3_575 ?
O5 La2 2.597(2) 2_545 ?
O5 K4 2.832(2) 2 ?
O5 K2 3.284(2) 4_475 ?
O6 B2 1.364(4) 2_565 ?
O6 Li2 1.972(7) 3_686 ?
O6 K2 2.795(2) 2_655 ?
O6 K4 3.363(2) 3_575 ?
O7 B1 1.376(4) 3_575 ?
O7 K3 2.846(2) 3_575 ?
O8 K4 2.849(2) 2_565 ?
O8 K3 2.961(2) 4_576 ?
O8 K5 3.083(3) 2 ?
O9 K2 2.779(2) 3_686 ?
O9 K5 3.027(3) 4_676 ?
O10 Li1 1.944(7) 3_676 ?
O10 La2 2.526(3) 2_655 ?
O10 K3 2.797(3) 2_655 ?
O10 K5 3.401(4) 3_575 ?
O10 K5 3.407(4) 1_655 ?
O11A O11B 0.939(10) . ?
O11A Li2 2.102(10) 2_656 ?
O11A K3 2.820(5) 4_576 ?
O11B K5 2.953(9) 2 ?
O11B K5 2.989(9) 4_676 ?
O11B K3 3.049(7) 4_576 ?

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
O11B Li1 O11B 124.6(8) 2_656 . ?
O11B Li1 O11A 29.0(4) 2_656 2_656 ?
O11B Li1 O11A 99.3(5) . 2_656 ?
O11B Li1 O11A 99.3(5) 2_656 . ?
O11B Li1 O11A 29.0(4) . . ?
O11A Li1 O11A 79.7(4) 2_656 . ?
O11B Li1 O10 116.6(3) 2_656 4_576 ?
O11B Li1 O10 106.6(4) . 4_576 ?
O11A Li1 O10 120.03(18) 2_656 4_576 ?
O11A Li1 O10 135.35(18) . 4_576 ?
O11B Li1 O10 106.6(4) 2_656 3_676 ?
O11B Li1 O10 116.6(3) . 3_676 ?
O11A Li1 O10 135.35(18) 2_656 3_676 ?
O11A Li1 O10 120.03(18) . 3_676 ?
O10 Li1 O10 75.7(3) 4_576 3_676 ?
O11B Li1 B4 117.7(4) 2_656 3_676 ?
O11B Li1 B4 117.7(4) . 3_676 ?
O11A Li1 B4 140.1(2) 2_656 3_676 ?
O11A Li1 B4 140.1(2) . 3_676 ?
O10 Li1 B4 37.86(16) 4_576 3_676 ?
O10 Li1 B4 37.86(16) 3_676 3_676 ?
O11B Li1 Li2 79.8(5) 2_656 . ?
O11B Li1 Li2 51.2(4) . . ?
O11A Li1 Li2 51.0(3) 2_656 . ?
O11A Li1 Li2 45.8(3) . . ?
O10 Li1 Li2 113.25(17) 4_576 . ?
O10 Li1 Li2 165.8(2) 3_676 . ?
B4 Li1 Li2 149.76(16) 3_676 . ?
O11B Li1 Li2 51.2(4) 2_656 2_656 ?
O11B Li1 Li2 79.8(5) . 2_656 ?
O11A Li1 Li2 45.8(3) 2_656 2_656 ?
O11A Li1 Li2 51.0(3) . 2_656 ?
O10 Li1 Li2 165.8(2) 4_576 2_656 ?
O10 Li1 Li2 113.25(17) 3_676 2_656 ?
B4 Li1 Li2 149.76(16) 3_676 2_656 ?
Li2 Li1 Li2 60.5(3) . 2_656 ?
O11B Li1 K3 68.9(2) 2_656 3_676 ?
O11B Li1 K3 109.7(3) . 3_676 ?
O11A Li1 K3 60.62(15) 2_656 3_676 ?
O11A Li1 K3 116.9(3) . 3_676 ?
O10 Li1 K3 59.89(9) 4_576 3_676 ?
O10 Li1 K3 122.8(3) 3_676 3_676 ?
B4 Li1 K3 91.43(14) 3_676 3_676 ?
Li2 Li1 K3 71.25(18) . 3_676 ?
Li2 Li1 K3 106.2(2) 2_656 3_676 ?
O11B Li1 K3 109.7(3) 2_656 4_576 ?
O11B Li1 K3 68.9(2) . 4_576 ?
O11A Li1 K3 116.9(3) 2_656 4_576 ?
O11A Li1 K3 60.62(15) . 4_576 ?
O10 Li1 K3 122.8(3) 4_576 4_576 ?
O10 Li1 K3 59.89(9) 3_676 4_576 ?
B4 Li1 K3 91.43(14) 3_676 4_576 ?
Li2 Li1 K3 106.2(2) . 4_576 ?
Li2 Li1 K3 71.25(18) 2_656 4_576 ?
K3 Li1 K3 177.1(3) 3_676 4_576 ?
O11B Li1 K5 173.4(3) 2_656 2 ?
O11B Li1 K5 54.8(3) . 2 ?
O11A Li1 K5 153.2(3) 2_656 2 ?
O11A Li1 K5 78.19(14) . 2 ?
O10 Li1 K5 68.52(18) 4_576 2 ?
O10 Li1 K5 70.03(19) 3_676 2 ?
B4 Li1 K5 63.38(11) 3_676 2 ?
Li2 Li1 K5 102.23(18) . 2 ?
Li2 Li1 K5 124.2(2) 2_656 2 ?
K3 Li1 K5 117.71(10) 3_676 2 ?
K3 Li1 K5 63.72(5) 4_576 2 ?
O11A Li2 O6 136.0(4) . 3_686 ?
O11A Li2 O2 150.3(4) . 4_676 ?
O6 Li2 O2 73.0(2) 3_686 4_676 ?
O11A Li2 O11B 26.6(3) . . ?
O6 Li2 O11B 158.4(5) 3_686 . ?
O2 Li2 O11B 123.9(4) 4_676 . ?
O11A Li2 O11A 75.9(4) . 2_656 ?
O6 Li2 O11A 106.0(4) 3_686 2_656 ?
O2 Li2 O11A 105.3(4) 4_676 2_656 ?
O11B Li2 O11A 83.6(3) . 2_656 ?
O11A Li2 B2 166.8(5) . 4_676 ?
O6 Li2 B2 36.73(15) 3_686 4_676 ?
O2 Li2 B2 36.98(15) 4_676 4_676 ?
O11B Li2 B2 154.1(5) . 4_676 ?
O11A Li2 B2 115.3(4) 2_656 4_676 ?
O11A Li2 O9 67.4(3) . . ?
O6 Li2 O9 102.6(4) 3_686 . ?
O2 Li2 O9 104.9(3) 4_676 . ?
O11B Li2 O9 62.0(3) . . ?
O11A Li2 O9 143.1(3) 2_656 . ?
B2 Li2 O9 101.5(3) 4_676 . ?
O11A Li2 B3 35.0(2) . . ?
O6 Li2 B3 126.9(4) 3_686 . ?
O2 Li2 B3 129.2(4) 4_676 . ?
O11B Li2 B3 33.0(2) . . ?
O11A Li2 B3 110.3(3) 2_656 . ?
B2 Li2 B3 134.3(4) 4_676 . ?
O9 Li2 B3 32.78(14) . . ?
O11A Li2 Li1 46.1(2) . . ?
O6 Li2 Li1 151.5(4) 3_686 . ?
O2 Li2 Li1 113.7(3) 4_676 . ?
O11B Li2 Li1 40.2(2) . . ?
O11A Li2 Li1 45.7(2) 2_656 . ?
B2 Li2 Li1 146.9(4) 4_676 . ?
O9 Li2 Li1 102.1(2) . . ?
B3 Li2 Li1 72.07(19) . . ?
O11A Li2 Li2 50.7(3) . 2_656 ?
O6 Li2 Li2 98.9(3) 3_686 2_656 ?
O2 Li2 Li2 147.1(6) 4_676 2_656 ?
O11B Li2 Li2 73.9(4) . 2_656 ?
O11A Li2 Li2 45.1(3) 2_656 2_656 ?
B2 Li2 Li2 131.9(4) 4_676 2_656 ?
O9 Li2 Li2 108.0(4) . 2_656 ?
B3 Li2 Li2 81.6(3) . 2_656 ?
Li1 Li2 Li2 59.76(16) . 2_656 ?
O11A Li2 K5 91.4(3) . 4_676 ?
O6 Li2 K5 124.1(3) 3_686 4_676 ?
O2 Li2 K5 60.75(18) 4_676 4_676 ?
O11B Li2 K5 65.3(3) . 4_676 ?
O11A Li2 K5 114.7(3) 2_656 4_676 ?
B2 Li2 K5 90.0(2) 4_676 4_676 ?
O9 Li2 K5 64.43(18) . 4_676 ?
B3 Li2 K5 71.8(2) . 4_676 ?
Li1 Li2 K5 79.78(18) . 4_676 ?
Li2 Li2 K5 136.96(18) 2_656 4_676 ?
O11A Li2 K2 81.0(3) . 3_686 ?
O6 Li2 K2 60.2(2) 3_686 3_686 ?
O2 Li2 K2 119.9(3) 4_676 3_686 ?
O11B Li2 K2 98.3(3) . 3_686 ?
O11A Li2 K2 121.6(3) 2_656 3_686 ?
B2 Li2 K2 86.8(2) 4_676 3_686 ?
O9 Li2 K2 56.67(18) . 3_686 ?
B3 Li2 K2 68.1(2) . 3_686 ?
Li1 Li2 K2 125.7(2) . 3_686 ?
Li2 Li2 K2 79.1(2) 2_656 3_686 ?
K5 Li2 K2 118.8(3) 4_676 3_686 ?
O8 K1 O8 128.50(10) . 2 ?
O8 K1 O7 132.83(7) . . ?
O8 K1 O7 90.73(7) 2 . ?
O8 K1 O7 90.73(7) . 2 ?
O8 K1 O7 132.83(7) 2 2 ?
O7 K1 O7 74.29(9) . 2 ?
O8 K1 O4 76.09(7) . . ?
O8 K1 O4 84.89(7) 2 . ?
O7 K1 O4 83.90(6) . . ?
O7 K1 O4 135.29(7) 2 . ?
O8 K1 O4 84.89(7) . 2 ?
O8 K1 O4 76.09(7) 2 2 ?
O7 K1 O4 135.29(7) . 2 ?
O7 K1 O4 83.90(6) 2 2 ?
O4 K1 O4 135.43(10) . 2 ?
O8 K1 K3 126.99(5) . 3_575 ?
O8 K1 K3 54.27(5) 2 3_575 ?
O7 K1 K3 51.76(5) . 3_575 ?
O7 K1 K3 125.90(5) 2 3_575 ?
O4 K1 K3 50.92(5) . 3_575 ?
O4 K1 K3 130.24(5) 2 3_575 ?
O8 K1 K3 54.27(5) . 4_576 ?
O8 K1 K3 126.99(5) 2 4_576 ?
O7 K1 K3 125.90(5) . 4_576 ?
O7 K1 K3 51.76(5) 2 4_576 ?
O4 K1 K3 130.24(5) . 4_576 ?
O4 K1 K3 50.92(5) 2 4_576 ?
K3 K1 K3 177.66(4) 3_575 4_576 ?
O8 K1 K5 174.30(5) . . ?
O8 K1 K5 53.91(5) 2 . ?
O7 K1 K5 49.12(5) . . ?
O7 K1 K5 84.82(5) 2 . ?
O4 K1 K5 109.59(5) . . ?
O4 K1 K5 91.09(5) 2 . ?
K3 K1 K5 58.695(19) 3_575 . ?
K3 K1 K5 120.03(2) 4_576 . ?
O8 K1 K5 53.91(5) . 2 ?
O8 K1 K5 174.30(5) 2 2 ?
O7 K1 K5 84.82(5) . 2 ?
O7 K1 K5 49.12(5) 2 2 ?
O4 K1 K5 91.09(5) . 2 ?
O4 K1 K5 109.59(5) 2 2 ?
K3 K1 K5 120.03(2) 3_575 2 ?
K3 K1 K5 58.695(19) 4_576 2 ?
K5 K1 K5 124.30(4) . 2 ?
O8 K1 K3 87.11(5) . . ?
O8 K1 K3 113.53(5) 2 . ?
O7 K1 K3 49.62(5) . . ?
O7 K1 K3 90.45(5) 2 . ?
O4 K1 K3 47.10(5) . . ?
O4 K1 K3 170.13(5) 2 . ?
K3 K1 K3 59.53(2) 3_575 . ?
K3 K1 K3 119.38(2) 4_576 . ?
K5 K1 K3 96.46(3) . . ?
K5 K1 K3 60.81(2) 2 . ?
O8 K1 K3 113.53(5) . 2 ?
O8 K1 K3 87.11(5) 2 2 ?
O7 K1 K3 90.45(5) . 2 ?
O7 K1 K3 49.62(5) 2 2 ?
O4 K1 K3 170.13(5) . 2 ?
O4 K1 K3 47.10(5) 2 2 ?
K3 K1 K3 119.38(2) 3_575 2 ?
K3 K1 K3 59.53(2) 4_576 2 ?
K5 K1 K3 60.81(2) . 2 ?
K5 K1 K3 96.46(3) 2 2 ?
K3 K1 K3 132.66(3) . 2 ?
O9 K2 O1 74.91(6) . . ?
O9 K2 O9 98.10(7) . 3_686 ?
O1 K2 O9 140.63(7) . 3_686 ?
O9 K2 O6 141.23(7) . 2_655 ?
O1 K2 O6 68.00(6) . 2_655 ?
O9 K2 O6 103.29(7) 3_686 2_655 ?
O9 K2 O6 76.90(7) . . ?
O1 K2 O6 67.19(6) . . ?
O9 K2 O6 73.48(7) 3_686 . ?
O6 K2 O6 78.72(7) 2_655 . ?
O9 K2 O3 114.85(8) . 4_676 ?
O1 K2 O3 84.05(5) . 4_676 ?
O9 K2 O3 131.66(7) 3_686 4_676 ?
O6 K2 O3 72.72(6) 2_655 4_676 ?
O6 K2 O3 145.42(6) . 4_676 ?
O9 K2 B2 73.68(8) . 4_676 ?
O1 K2 B2 132.18(9) . 4_676 ?
O9 K2 B2 79.15(8) 3_686 4_676 ?
O6 K2 B2 141.82(8) 2_655 4_676 ?
O6 K2 B2 136.05(8) . 4_676 ?
O3 K2 B2 77.62(8) 4_676 4_676 ?
O9 K2 Li2 103.49(13) . 3_686 ?
O1 K2 Li2 98.49(14) . 3_686 ?
O9 K2 Li2 44.55(14) 3_686 3_686 ?
O6 K2 Li2 72.12(14) 2_655 3_686 ?
O6 K2 Li2 36.86(12) . 3_686 ?
O3 K2 Li2 140.72(13) 4_676 3_686 ?
B2 K2 Li2 123.31(15) 4_676 3_686 ?
O9 K2 O5 98.18(7) . 4_676 ?
O1 K2 O5 144.58(6) . 4_676 ?
O9 K2 O5 74.24(6) 3_686 4_676 ?
O6 K2 O5 118.51(6) 2_655 4_676 ?
O6 K2 O5 146.22(6) . 4_676 ?
O3 K2 O5 67.16(6) 4_676 4_676 ?
B2 K2 O5 24.52(7) 4_676 4_676 ?
Li2 K2 O5 116.81(13) 3_686 4_676 ?
O9 K2 B3 122.46(9) . 3_686 ?
O1 K2 B3 139.76(8) . 3_686 ?
O9 K2 B3 24.36(8) 3_686 3_686 ?
O6 K2 B3 82.39(8) 2_655 3_686 ?
O6 K2 B3 81.14(8) . 3_686 ?
O3 K2 B3 113.26(8) 4_676 3_686 ?
B2 K2 B3 87.87(9) 4_676 3_686 ?
Li2 K2 B3 44.85(13) 3_686 3_686 ?
O5 K2 B3 73.47(7) 4_676 3_686 ?
O9 K2 K4 150.18(6) . 4_676 ?
O1 K2 K4 123.79(3) . 4_676 ?
O9 K2 K4 81.06(5) 3_686 4_676 ?
O6 K2 K4 66.10(5) 2_655 4_676 ?
O6 K2 K4 129.97(5) . 4_676 ?
O3 K2 K4 52.65(5) 4_676 4_676 ?
B2 K2 K4 76.93(7) 4_676 4_676 ?
Li2 K2 K4 96.67(11) 3_686 4_676 ?
O5 K2 K4 52.66(4) 4_676 4_676 ?
B3 K2 K4 60.61(7) 3_686 4_676 ?
O9 K2 K2 50.51(5) . 3_686 ?
O1 K2 K2 114.11(3) . 3_686 ?
O9 K2 K2 47.58(5) 3_686 3_686 ?
O6 K2 K2 139.52(6) 2_655 3_686 ?
O6 K2 K2 67.00(5) . 3_686 ?
O3 K2 K2 146.25(5) 4_676 3_686 ?
B2 K2 K2 69.13(7) 4_676 3_686 ?
Li2 K2 K2 67.57(14) 3_686 3_686 ?
O5 K2 K2 83.94(4) 4_676 3_686 ?
B3 K2 K2 71.95(7) 3_686 3_686 ?
K4 K2 K2 121.72(3) 4_676 3_686 ?
O10 K3 O4 70.50(7) 2_655 . ?
O10 K3 O4 167.70(8) 2_655 3_575 ?
O4 K3 O4 98.10(6) . 3_575 ?
O10 K3 O11A 73.48(11) 2_655 4_575 ?
O4 K3 O11A 142.17(11) . 4_575 ?
O4 K3 O11A 116.51(11) 3_575 4_575 ?
O10 K3 O7 89.88(9) 2_655 3_575 ?
O4 K3 O7 50.80(6) . 3_575 ?
O4 K3 O7 79.01(6) 3_575 3_575 ?
O11A K3 O7 118.88(10) 4_575 3_575 ?
O10 K3 O2 99.29(10) 2_655 2 ?
O4 K3 O2 126.44(7) . 2 ?
O4 K3 O2 91.20(6) 3_575 2 ?
O11A K3 O2 70.42(10) 4_575 2 ?
O7 K3 O2 168.75(6) 3_575 2 ?
O10 K3 O7 128.58(8) 2_655 . ?
O4 K3 O7 78.06(6) . . ?
O4 K3 O7 50.00(6) 3_575 . ?
O11A K3 O7 135.79(10) 4_575 . ?
O7 K3 O7 100.72(6) 3_575 . ?
O2 K3 O7 68.45(6) 2 . ?
O10 K3 O8 105.96(8) 2_655 4_575 ?
O4 K3 O8 132.14(7) . 4_575 ?
O4 K3 O8 77.96(7) 3_575 4_575 ?
O11A K3 O8 49.99(11) 4_575 4_575 ?
O7 K3 O8 82.11(6) 3_575 4_575 ?
O2 K3 O8 101.41(7) 2 4_575 ?
O7 K3 O8 125.23(6) . 4_575 ?
O10 K3 B1 154.89(10) 2_655 3_575 ?
O4 K3 B1 96.71(8) . 3_575 ?
O4 K3 B1 26.80(8) 3_575 3_575 ?
O11A K3 B1 121.04(11) 4_575 3_575 ?
O7 K3 B1 98.58(8) 3_575 3_575 ?
O2 K3 B1 70.41(8) 2 3_575 ?
O7 K3 B1 26.60(8) . 3_575 ?
O8 K3 B1 98.62(8) 4_575 3_575 ?
O10 K3 O11B 64.59(15) 2_655 4_575 ?
O4 K3 O11B 127.29(19) . 4_575 ?
O4 K3 O11B 122.70(13) 3_575 4_575 ?
O11A K3 O11B 17.86(18) 4_575 4_575 ?
O7 K3 O11B 102.28(19) 3_575 4_575 ?
O2 K3 O11B 87.6(2) 2 4_575 ?
O7 K3 O11B 153.5(2) . 4_575 ?
O8 K3 O11B 46.55(12) 4_575 4_575 ?
B1 K3 O11B 134.94(18) 3_575 4_575 ?
O10 K3 B1 72.15(9) 2_655 . ?
O4 K3 B1 26.51(8) . . ?
O4 K3 B1 95.61(8) 3_575 . ?
O11A K3 B1 127.94(11) 4_575 . ?
O7 K3 B1 26.48(7) 3_575 . ?
O2 K3 B1 152.85(8) 2 . ?
O7 K3 B1 96.27(8) . . ?
O8 K3 B1 105.71(8) 4_575 . ?
B1 K3 B1 106.25(8) 3_575 . ?
O11B K3 B1 110.2(2) 4_575 . ?
O10 K3 Li1 36.97(14) 2_655 3_676 ?
O4 K3 Li1 107.23(15) . 3_676 ?
O4 K3 Li1 153.14(13) 3_575 3_676 ?
O11A K3 Li1 36.71(16) 4_575 3_676 ?
O7 K3 Li1 110.20(12) 3_575 3_676 ?
O2 K3 Li1 81.03(12) 2 3_676 ?
O7 K3 Li1 143.83(7) . 3_676 ?
O8 K3 Li1 78.46(8) 4_575 3_676 ?
B1 K3 Li1 150.21(15) 3_575 3_676 ?
O11B K3 Li1 31.99(13) 4_575 3_676 ?
B1 K3 Li1 103.02(15) . 3_676 ?
O3 K4 O4 146.99(7) . 1_545 ?
O3 K4 O5 78.61(6) . 2 ?
O4 K4 O5 81.77(6) 1_545 2 ?
O3 K4 O8 132.72(7) . 2_545 ?
O4 K4 O8 80.16(6) 1_545 2_545 ?
O5 K4 O8 119.00(7) 2 2_545 ?
O3 K4 O5 73.62(6) . . ?
O4 K4 O5 122.45(6) 1_545 . ?
O5 K4 O5 68.17(7) 2 . ?
O8 K4 O5 74.16(6) 2_545 . ?
O3 K4 O3 101.47(6) . 3_565 ?
O4 K4 O3 47.32(6) 1_545 3_565 ?
O5 K4 O3 74.56(6) 2 3_565 ?
O8 K4 O3 124.95(7) 2_545 3_565 ?
O5 K4 O3 142.67(6) . 3_565 ?
O3 K4 B1 126.48(8) . 1_545 ?
O4 K4 B1 26.07(7) 1_545 1_545 ?
O5 K4 B1 87.98(8) 2 1_545 ?
O8 K4 B1 99.12(8) 2_545 1_545 ?
O5 K4 B1 146.12(8) . 1_545 ?
O3 K4 B1 25.89(8) 3_565 1_545 ?
O3 K4 B2 75.37(8) . 4_565 ?
O4 K4 B2 100.79(8) 1_545 4_565 ?
O5 K4 B2 134.24(8) 2 4_565 ?
O8 K4 B2 106.29(8) 2_545 4_565 ?
O5 K4 B2 135.47(8) . 4_565 ?
O3 K4 B2 74.60(7) 3_565 4_565 ?
B1 K4 B2 78.41(9) 1_545 4_565 ?
O3 K4 K2 55.18(5) . 4_475 ?
O4 K4 K2 156.08(5) 1_545 4_475 ?
O5 K4 K2 119.40(5) 2 4_475 ?
O8 K4 K2 79.55(5) 2_545 4_475 ?
O5 K4 K2 63.06(4) . 4_475 ?
O3 K4 K2 144.09(5) 3_565 4_475 ?
B1 K4 K2 149.73(7) 1_545 4_475 ?
B2 K4 K2 73.11(6) 4_565 4_475 ?
O3 K4 B3 114.37(8) . 2_545 ?
O4 K4 B3 97.95(8) 1_545 2_545 ?
O5 K4 B3 138.08(8) 2 2_545 ?
O8 K4 B3 23.98(8) 2_545 2_545 ?
O5 K4 B3 77.44(8) . 2_545 ?
O3 K4 B3 134.11(8) 3_565 2_545 ?
B1 K4 B3 109.97(10) 1_545 2_545 ?
B2 K4 B3 87.28(9) 4_565 2_545 ?
K2 K4 B3 59.19(7) 4_475 2_545 ?
O3 K4 O6 65.47(6) . 3_575 ?
O4 K4 O6 121.34(6) 1_545 3_575 ?
O5 K4 O6 141.20(6) 2 3_575 ?
O8 K4 O6 96.80(6) 2_545 3_575 ?
O5 K4 O6 112.29(6) . 3_575 ?
O3 K4 O6 97.89(6) 3_565 3_575 ?
B1 K4 O6 101.40(7) 1_545 3_575 ?
B2 K4 O6 23.75(7) 4_565 3_575 ?
K2 K4 O6 49.45(4) 4_475 3_575 ?
B3 K4 O6 73.83(8) 2_545 3_575 ?
O3 K4 K3 145.79(5) . 3_565 ?
O4 K4 K3 50.56(5) 1_545 3_565 ?
O5 K4 K3 131.71(5) 2 3_565 ?
O8 K4 K3 53.45(5) 2_545 3_565 ?
O5 K4 K3 127.45(5) . 3_565 ?
O3 K4 K3 77.27(5) 3_565 3_565 ?
B1 K4 K3 53.48(7) 1_545 3_565 ?
B2 K4 K3 71.35(7) 4_565 3_565 ?
K2 K4 K3 106.43(3) 4_475 3_565 ?
B3 K4 K3 56.93(7) 2_545 3_565 ?
O6 K4 K3 80.72(4) 3_575 3_565 ?
O2 K5 O7 75.65(6) . . ?
O2 K5 O11B 169.17(13) . 2 ?
O7 K5 O11B 104.34(17) . 2 ?
O2 K5 O11B 77.57(16) . 4_475 ?
O7 K5 O11B 153.14(16) . 4_475 ?
O11B K5 O11B 101.6(3) 2 4_475 ?
O2 K5 O9 72.62(6) . 4_475 ?
O7 K5 O9 126.23(7) . 4_475 ?
O11B K5 O9 114.51(16) 2 4_475 ?
O11B K5 O9 44.74(15) 4_475 4_475 ?
O2 K5 O8 123.98(7) . 2 ?
O7 K5 O8 79.79(6) . 2 ?
O11B K5 O8 46.31(15) 2 2 ?
O11B K5 O8 114.27(16) 4_475 2 ?
O9 K5 O8 153.67(6) 4_475 2 ?
O2 K5 Li2 38.96(12) . 4_475 ?
O7 K5 Li2 114.22(12) . 4_475 ?
O11B K5 Li2 141.1(2) 2 4_475 ?
O11B K5 Li2 39.5(2) 4_475 4_475 ?
O9 K5 Li2 44.05(16) 4_475 4_475 ?
O8 K5 Li2 134.88(16) 2 4_475 ?
O2 K5 B4 125.45(12) . 3_575 ?
O7 K5 B4 96.13(5) . 3_575 ?
O11B K5 B4 65.37(16) 2 3_575 ?
O11B K5 B4 101.04(12) 4_475 3_575 ?
O9 K5 B4 70.12(9) 4_475 3_575 ?
O8 K5 B4 106.49(11) 2 3_575 ?
Li2 K5 B4 113.71(18) 4_475 3_575 ?
O2 K5 B3 145.06(8) . 2 ?
O7 K5 B3 98.60(8) . 2 ?
O11B K5 B3 24.22(14) 2 2 ?
O11B K5 B3 102.12(18) 4_475 2 ?
O9 K5 B3 131.36(8) 4_475 2 ?
O8 K5 B3 24.38(7) 2 2 ?
Li2 K5 B3 136.29(15) 4_475 2 ?
B4 K5 B3 89.22(12) 3_575 2 ?
O2 K5 B3 82.21(8) . 4_475 ?
O7 K5 B3 149.26(9) . 4_475 ?
O11B K5 B3 101.38(18) 2 4_475 ?
O11B K5 B3 23.68(13) 4_475 4_475 ?
O9 K5 B3 23.94(8) 4_475 4_475 ?
O8 K5 B3 130.77(8) 2 4_475 ?
Li2 K5 B3 44.63(14) 4_475 4_475 ?
B4 K5 B3 79.55(8) 3_575 4_475 ?
B3 K5 B3 111.66(9) 2 4_475 ?
O2 K5 O10 135.04(7) . 3_575 ?
O7 K5 O10 118.12(7) . 3_575 ?
O11B K5 O10 54.79(14) 2 3_575 ?
O11B K5 O10 82.94(13) 4_475 3_575 ?
O9 K5 O10 65.11(7) 4_475 3_575 ?
O8 K5 O10 100.95(6) 2 3_575 ?
Li2 K5 O10 107.65(15) 4_475 3_575 ?
B4 K5 O10 23.48(7) 3_575 3_575 ?
B3 K5 O10 78.47(8) 2 3_575 ?
B3 K5 O10 65.36(8) 4_475 3_575 ?
O2 K5 O10 87.50(8) . 1_455 ?
O7 K5 O10 121.81(7) . 1_455 ?
O11B K5 O10 83.36(14) 2 1_455 ?
O11B K5 O10 54.47(14) 4_475 1_455 ?
O9 K5 O10 99.01(7) 4_475 1_455 ?
O8 K5 O10 64.67(6) 2 1_455 ?
Li2 K5 O10 72.22(15) 4_475 1_455 ?
B4 K5 O10 136.25(9) 3_575 1_455 ?
B3 K5 O10 65.99(8) 2 1_455 ?
B3 K5 O10 77.51(8) 4_475 1_455 ?
O10 K5 O10 112.99(9) 3_575 1_455 ?
O7 La1 O7 82.69(10) 2 . ?
O7 La1 O2 89.13(7) 2 2 ?
O7 La1 O2 82.09(7) . 2 ?
O7 La1 O2 82.09(7) 2 . ?
O7 La1 O2 89.13(7) . . ?
O2 La1 O2 168.33(10) 2 . ?
O7 La1 O5 124.03(7) 2 . ?
O7 La1 O5 127.02(7) . . ?
O2 La1 O5 135.10(7) 2 . ?
O2 La1 O5 56.56(7) . . ?
O7 La1 O5 127.02(7) 2 2 ?
O7 La1 O5 124.03(7) . 2 ?
O2 La1 O5 56.56(7) 2 2 ?
O2 La1 O5 135.10(7) . 2 ?
O5 La1 O5 78.63(9) . 2 ?
O7 La1 O3 137.97(7) 2 . ?
O7 La1 O3 55.84(7) . . ?
O2 La1 O3 91.38(7) 2 . ?
O2 La1 O3 90.02(7) . . ?
O5 La1 O3 82.66(7) . . ?
O5 La1 O3 86.61(7) 2 . ?
O7 La1 O3 55.84(7) 2 2 ?
O7 La1 O3 137.97(7) . 2 ?
O2 La1 O3 90.02(7) 2 2 ?
O2 La1 O3 91.38(7) . 2 ?
O5 La1 O3 86.61(7) . 2 ?
O5 La1 O3 82.66(7) 2 2 ?
O3 La1 O3 166.12(10) . 2 ?
O7 La1 B1 28.75(8) 2 4_576 ?
O7 La1 B1 111.08(9) . 4_576 ?
O2 La1 B1 97.22(9) 2 4_576 ?
O2 La1 B1 78.72(9) . 4_576 ?
O5 La1 B1 100.90(9) . 4_576 ?
O5 La1 B1 110.10(8) 2 4_576 ?
O3 La1 B1 163.27(9) . 4_576 ?
O3 La1 B1 29.02(8) 2 4_576 ?
O7 La1 B1 111.08(9) 2 3_575 ?
O7 La1 B1 28.75(8) . 3_575 ?
O2 La1 B1 78.72(9) 2 3_575 ?
O2 La1 B1 97.22(9) . 3_575 ?
O5 La1 B1 110.10(8) . 3_575 ?
O5 La1 B1 100.90(9) 2 3_575 ?
O3 La1 B1 29.02(8) . 3_575 ?
O3 La1 B1 163.27(9) 2 3_575 ?
B1 La1 B1 139.71(14) 4_576 3_575 ?
O7 La1 B2 110.49(8) 2 2 ?
O7 La1 B2 102.85(8) . 2 ?
O2 La1 B2 28.25(8) 2 2 ?
O2 La1 B2 163.42(9) . 2 ?
O5 La1 B2 106.85(9) . 2 ?
O5 La1 B2 28.38(8) 2 2 ?
O3 La1 B2 87.39(8) . 2 ?
O3 La1 B2 87.33(8) 2 2 ?
B1 La1 B2 106.88(9) 4_576 2 ?
B1 La1 B2 88.41(10) 3_575 2 ?
O7 La1 B2 102.85(8) 2 . ?
O7 La1 B2 110.49(8) . . ?
O2 La1 B2 163.42(9) 2 . ?
O2 La1 B2 28.25(8) . . ?
O5 La1 B2 28.38(8) . . ?
O5 La1 B2 106.85(9) 2 . ?
O3 La1 B2 87.33(8) . . ?
O3 La1 B2 87.39(8) 2 . ?
B1 La1 B2 88.41(10) 4_576 . ?
B1 La1 B2 106.88(9) 3_575 . ?
B2 La1 B2 135.18(14) 2 . ?
O4 La2 O9 140.76(7) . . ?
O4 La2 O8 84.67(7) . . ?
O9 La2 O8 57.25(7) . . ?
O4 La2 O6 127.36(7) . . ?
O9 La2 O6 87.53(7) . . ?
O8 La2 O6 127.88(7) . . ?
O4 La2 O1 120.13(7) . . ?
O9 La2 O1 81.79(6) . . ?
O8 La2 O1 126.91(7) . . ?
O6 La2 O1 75.95(8) . . ?
O4 La2 O10 80.97(9) . 2_655 ?
O9 La2 O10 88.07(11) . 2_655 ?
O8 La2 O10 88.13(11) . 2_655 ?
O6 La2 O10 131.48(8) . 2_655 ?
O1 La2 O10 55.60(9) . 2_655 ?
O4 La2 O5 93.72(7) . 2_565 ?
O9 La2 O5 93.14(7) . 2_565 ?
O8 La2 O5 86.63(7) . 2_565 ?
O6 La2 O5 55.63(7) . 2_565 ?
O1 La2 O5 131.53(8) . 2_565 ?
O10 La2 O5 172.87(8) 2_655 2_565 ?
O4 La2 O3 53.68(7) . 3_575 ?
O9 La2 O3 165.55(7) . 3_575 ?
O8 La2 O3 136.28(7) . 3_575 ?
O6 La2 O3 79.07(7) . 3_575 ?
O1 La2 O3 89.64(5) . 3_575 ?
O10 La2 O3 96.69(11) 2_655 3_575 ?
O5 La2 O3 83.83(7) 2_565 3_575 ?
O4 La2 B3 112.36(9) . . ?
O9 La2 B3 28.75(9) . . ?
O8 La2 B3 28.67(9) . . ?
O6 La2 B3 110.58(10) . . ?
O1 La2 B3 103.76(8) . . ?
O10 La2 B3 85.53(13) 2_655 . ?
O5 La2 B3 92.15(10) 2_565 . ?
O3 La2 B3 164.92(9) 3_575 . ?
O4 La2 B1 28.42(8) . . ?
O9 La2 B1 164.63(9) . . ?
O8 La2 B1 112.90(9) . . ?
O6 La2 B1 107.44(9) . . ?
O1 La2 B1 98.19(7) . . ?
O10 La2 B1 79.45(12) 2_655 . ?
O5 La2 B1 98.17(8) 2_565 . ?
O3 La2 B1 28.42(8) 3_575 . ?
B3 La2 B1 139.58(11) . . ?
O4 La2 B4 101.53(9) . . ?
O9 La2 B4 83.79(6) . . ?
O8 La2 B4 108.33(9) . . ?
O6 La2 B4 103.81(11) . . ?
O1 La2 B4 27.88(12) . . ?
O10 La2 B4 27.73(11) 2_655 . ?
O5 La2 B4 159.40(11) 2_565 . ?
O3 La2 B4 94.07(5) 3_575 . ?
B3 La2 B4 94.70(9) . . ?
B1 La2 B4 89.11(8) . . ?
O4 La2 B2 112.64(8) . 2_565 ?
O9 La2 B2 90.18(8) . 2_565 ?
O8 La2 B2 108.40(8) . 2_565 ?
O6 La2 B2 27.52(8) . 2_565 ?
O1 La2 B2 103.44(10) . 2_565 ?
O10 La2 B2 159.00(9) 2_655 2_565 ?
O5 La2 B2 28.11(8) 2_565 2_565 ?
O3 La2 B2 80.47(8) 3_575 2_565 ?
B3 La2 B2 102.65(11) . 2_565 ?
B1 La2 B2 104.68(9) . 2_565 ?
B4 La2 B2 131.32(12) . 2_565 ?
O4 B1 O7 123.2(3) . 3_575 ?
O4 B1 O3 118.1(3) . 3_575 ?
O7 B1 O3 118.7(3) 3_575 3_575 ?
O4 B1 La1 154.2(2) . 3_575 ?
O7 B1 La1 58.89(15) 3_575 3_575 ?
O3 B1 La1 66.15(15) 3_575 3_575 ?
O4 B1 La2 57.80(15) . . ?
O7 B1 La2 147.1(2) 3_575 . ?
O3 B1 La2 71.31(16) 3_575 . ?
La1 B1 La2 136.95(13) 3_575 . ?
O4 B1 K3 67.10(16) . 3_575 ?
O7 B1 K3 71.47(16) 3_575 3_575 ?
O3 B1 K3 137.3(2) 3_575 3_575 ?
La1 B1 K3 92.47(9) 3_575 3_575 ?
La2 B1 K3 124.49(12) . 3_575 ?
O4 B1 K3 65.19(16) . . ?
O7 B1 K3 67.20(16) 3_575 . ?
O3 B1 K3 148.8(2) 3_575 . ?
La1 B1 K3 125.92(12) 3_575 . ?
La2 B1 K3 88.65(9) . . ?
K3 B1 K3 73.75(8) 3_575 . ?
O4 B1 K4 63.15(16) . 1_565 ?
O7 B1 K4 133.0(2) 3_575 1_565 ?
O3 B1 K4 75.22(17) 3_575 1_565 ?
La1 B1 K4 96.10(10) 3_575 1_565 ?
La2 B1 K4 78.93(9) . 1_565 ?
K3 B1 K4 70.77(8) 3_575 1_565 ?
K3 B1 K4 125.26(12) . 1_565 ?
O4 B1 K5 124.9(2) . 3_575 ?
O7 B1 K5 55.36(15) 3_575 3_575 ?
O3 B1 K5 90.48(18) 3_575 3_575 ?
La1 B1 K5 78.85(9) 3_575 3_575 ?
La2 B1 K5 95.51(9) . 3_575 ?
K3 B1 K5 122.51(11) 3_575 3_575 ?
K3 B1 K5 67.26(7) . 3_575 ?
K4 B1 K5 165.65(12) 1_565 3_575 ?
O6 B2 O2 120.3(3) 2_545 . ?
O6 B2 O5 119.5(3) 2_545 . ?
O2 B2 O5 120.2(3) . . ?
O6 B2 Li2 59.9(2) 2_545 4_475 ?
O2 B2 Li2 62.2(2) . 4_475 ?
O5 B2 Li2 165.5(3) . 4_475 ?
O6 B2 La1 176.1(2) 2_545 . ?
O2 B2 La1 59.43(15) . . ?
O5 B2 La1 61.02(15) . . ?
Li2 B2 La1 120.7(2) 4_475 . ?
O6 B2 La2 57.44(16) 2_545 2_545 ?
O2 B2 La2 177.3(2) . 2_545 ?
O5 B2 La2 62.08(16) . 2_545 ?
Li2 B2 La2 115.2(2) 4_475 2_545 ?
La1 B2 La2 122.98(12) . 2_545 ?
O6 B2 K2 93.80(18) 2_545 4_475 ?
O2 B2 K2 95.35(18) . 4_475 ?
O5 B2 K2 79.85(16) . 4_475 ?
Li2 B2 K2 85.7(2) 4_475 4_475 ?
La1 B2 K2 90.09(9) . 4_475 ?
La2 B2 K2 83.52(9) 2_545 4_475 ?
O6 B2 K4 83.34(17) 2_545 4_566 ?
O2 B2 K4 86.92(17) . 4_566 ?
O5 B2 K4 100.73(18) . 4_566 ?
Li2 B2 K4 93.7(2) 4_475 4_566 ?
La1 B2 K4 92.77(9) . 4_566 ?
La2 B2 K4 94.13(9) 2_545 4_566 ?
K2 B2 K4 176.99(13) 4_475 4_566 ?
O11B B3 O8 121.1(4) . . ?
O11B B3 O9 113.9(4) . . ?
O8 B3 O9 119.8(3) . . ?
O11B B3 O11A 39.1(4) . . ?
O8 B3 O11A 121.3(3) . . ?
O9 B3 O11A 116.3(3) . . ?
O11B B3 Li2 57.0(4) . . ?
O8 B3 Li2 170.1(3) . . ?
O9 B3 Li2 67.0(3) . . ?
O11A B3 Li2 50.2(3) . . ?
O11B B3 La2 149.4(5) . . ?
O8 B3 La2 60.37(16) . . ?
O9 B3 La2 59.96(16) . . ?
O11A B3 La2 170.8(3) . . ?
Li2 B3 La2 127.0(2) . . ?
O11B B3 K2 119.1(4) . 3_686 ?
O8 B3 K2 109.7(2) . 3_686 ?
O9 B3 K2 56.66(18) . 3_686 ?
O11A B3 K2 87.2(3) . 3_686 ?
Li2 B3 K2 67.09(18) . 3_686 ?
La2 B3 K2 83.92(10) . 3_686 ?
O11B B3 K3 67.5(3) . 4_576 ?
O8 B3 K3 63.77(17) . 4_576 ?
O9 B3 K3 170.4(3) . 4_576 ?
O11A B3 K3 58.2(2) . 4_576 ?
Li2 B3 K3 108.3(2) . 4_576 ?
La2 B3 K3 124.12(12) . 4_576 ?
K2 B3 K3 114.05(12) 3_686 4_576 ?
O11B B3 K5 62.9(4) . 2 ?
O8 B3 K5 68.36(19) . 2 ?
O9 B3 K5 123.3(2) . 2 ?
O11A B3 K5 94.6(3) . 2 ?
Li2 B3 K5 114.9(2) . 2 ?
La2 B3 K5 94.30(11) . 2 ?
K2 B3 K5 177.91(13) 3_686 2 ?
K3 B3 K5 66.07(8) 4_576 2 ?
O11B B3 K4 124.2(5) . 2_565 ?
O8 B3 K4 57.77(18) . 2_565 ?
O9 B3 K4 108.4(2) . 2_565 ?
O11A B3 K4 89.9(3) . 2_565 ?
Li2 B3 K4 114.2(2) . 2_565 ?
La2 B3 K4 83.86(9) . 2_565 ?
K2 B3 K4 60.20(8) 3_686 2_565 ?
K3 B3 K4 65.25(7) 4_576 2_565 ?
K5 B3 K4 118.57(11) 2 2_565 ?
O11B B3 K5 61.9(4) . 4_676 ?
O8 B3 K5 125.3(2) . 4_676 ?
O9 B3 K5 63.54(18) . 4_676 ?
O11A B3 K5 93.8(2) . 4_676 ?
Li2 B3 K5 63.53(17) . 4_676 ?
La2 B3 K5 91.55(10) . 4_676 ?
K2 B3 K5 112.76(11) 3_686 4_676 ?
K3 B3 K5 122.77(12) 4_576 4_676 ?
K5 B3 K5 68.34(9) 2 4_676 ?
K4 B3 K5 171.90(14) 2_565 4_676 ?
O10 B4 O10 122.3(5) 2_655 . ?
O10 B4 O1 118.9(2) 2_655 . ?
O10 B4 O1 118.9(2) . . ?
O10 B4 Li1 61.1(2) 2_655 3_676 ?
O10 B4 Li1 61.1(2) . 3_676 ?
O1 B4 Li1 180.000(3) . 3_676 ?
O10 B4 La2 177.5(3) 2_655 2_655 ?
O10 B4 La2 59.64(16) . 2_655 ?
O1 B4 La2 59.24(10) . 2_655 ?
Li1 B4 La2 120.76(10) 3_676 2_655 ?
O10 B4 La2 59.64(16) 2_655 . ?
O10 B4 La2 177.5(3) . . ?
O1 B4 La2 59.24(10) . . ?
Li1 B4 La2 120.76(10) 3_676 . ?
La2 B4 La2 118.5(2) 2_655 . ?
O10 B4 K5 86.2(2) 2_655 3_575 ?
O10 B4 K5 83.9(2) . 3_575 ?
O1 B4 K5 100.30(10) . 3_575 ?
Li1 B4 K5 79.70(10) 3_676 3_575 ?
La2 B4 K5 92.60(4) 2_655 3_575 ?
La2 B4 K5 97.90(4) . 3_575 ?
O10 B4 K5 83.9(2) 2_655 4_676 ?
O10 B4 K5 86.2(2) . 4_676 ?
O1 B4 K5 100.30(10) . 4_676 ?
Li1 B4 K5 79.70(10) 3_676 4_676 ?
La2 B4 K5 97.90(4) 2_655 4_676 ?
La2 B4 K5 92.60(4) . 4_676 ?
K5 B4 K5 159.4(2) 3_575 4_676 ?
B4 O1 La2 92.88(7) . 2_655 ?
B4 O1 La2 92.88(7) . . ?
La2 O1 La2 174.24(14) 2_655 . ?
B4 O1 K2 130.69(5) . . ?
La2 O1 K2 88.99(5) 2_655 . ?
La2 O1 K2 87.26(5) . . ?
B4 O1 K2 130.69(5) . 2_655 ?
La2 O1 K2 87.26(5) 2_655 2_655 ?
La2 O1 K2 88.99(5) . 2_655 ?
K2 O1 K2 98.61(10) . 2_655 ?
B2 O2 Li2 80.8(2) . 4_475 ?
B2 O2 La1 92.32(18) . . ?
Li2 O2 La1 167.2(3) 4_475 . ?
B2 O2 K5 134.12(19) . . ?
Li2 O2 K5 80.3(2) 4_475 . ?
La1 O2 K5 97.27(7) . . ?
B2 O2 K3 135.57(19) . 2 ?
Li2 O2 K3 87.9(2) 4_475 2 ?
La1 O2 K3 104.45(7) . 2 ?
K5 O2 K3 84.82(7) . 2 ?
B1 O3 La1 84.83(17) 3_575 . ?
B1 O3 La2 80.27(16) 3_575 3_575 ?
La1 O3 La2 163.64(10) . 3_575 ?
B1 O3 K4 153.65(19) 3_575 . ?
La1 O3 K4 86.89(6) . . ?
La2 O3 K4 109.47(7) 3_575 . ?
B1 O3 K2 134.18(19) 3_575 4_475 ?
La1 O3 K2 104.94(7) . 4_475 ?
La2 O3 K2 81.14(6) 3_575 4_475 ?
K4 O3 K2 72.17(6) . 4_475 ?
B1 O3 K4 78.89(17) 3_575 3_565 ?
La1 O3 K4 102.36(7) . 3_565 ?
La2 O3 K4 81.43(6) 3_575 3_565 ?
K4 O3 K4 78.53(6) . 3_565 ?
K2 O3 K4 138.30(8) 4_475 3_565 ?
B1 O4 La2 93.78(17) . . ?
B1 O4 K1 166.76(19) . . ?
La2 O4 K1 99.45(7) . . ?
B1 O4 K4 90.79(18) . 1_565 ?
La2 O4 K4 93.63(7) . 1_565 ?
K1 O4 K4 88.77(7) . 1_565 ?
B1 O4 K3 88.30(18) . . ?
La2 O4 K3 105.16(8) . . ?
K1 O4 K3 87.87(6) . . ?
K4 O4 K3 161.20(8) 1_565 . ?
B1 O4 K3 86.10(17) . 3_575 ?
La2 O4 K3 172.94(9) . 3_575 ?
K1 O4 K3 80.82(6) . 3_575 ?
K4 O4 K3 79.31(6) 1_565 3_575 ?
K3 O4 K3 81.90(6) . 3_575 ?
B2 O5 La1 90.60(18) . . ?
B2 O5 La2 89.81(17) . 2_545 ?
La1 O5 La2 176.18(9) . 2_545 ?
B2 O5 K4 125.03(18) . 2 ?
La1 O5 K4 87.11(6) . 2 ?
La2 O5 K4 89.54(6) 2_545 2 ?
B2 O5 K4 138.92(18) . . ?
La1 O5 K4 85.06(6) . . ?
La2 O5 K4 97.11(7) 2_545 . ?
K4 O5 K4 95.58(6) 2 . ?
B2 O5 K2 75.63(16) . 4_475 ?
La1 O5 K2 95.76(6) . 4_475 ?
La2 O5 K2 88.02(6) 2_545 4_475 ?
K4 O5 K2 159.20(8) 2 4_475 ?
K4 O5 K2 64.28(5) . 4_475 ?
B2 O6 Li2 83.4(3) 2_565 3_686 ?
B2 O6 La2 95.04(18) 2_565 . ?
Li2 O6 La2 162.6(3) 3_686 . ?
B2 O6 K2 137.03(19) 2_565 2_655 ?
Li2 O6 K2 105.3(2) 3_686 2_655 ?
La2 O6 K2 87.66(7) . 2_655 ?
B2 O6 K2 129.60(19) 2_565 . ?
Li2 O6 K2 83.0(2) 3_686 . ?
La2 O6 K2 84.77(7) . . ?
K2 O6 K2 93.37(7) 2_655 . ?
B2 O6 K4 72.91(16) 2_565 3_575 ?
Li2 O6 K4 95.8(3) 3_686 3_575 ?
La2 O6 K4 100.29(7) . 3_575 ?
K2 O6 K4 64.45(5) 2_655 3_575 ?
K2 O6 K4 156.77(8) . 3_575 ?
B1 O7 La1 92.36(17) 3_575 . ?
B1 O7 K1 163.5(2) 3_575 . ?
La1 O7 K1 101.51(7) . . ?
B1 O7 K3 86.32(17) 3_575 3_575 ?
La1 O7 K3 175.34(9) . 3_575 ?
K1 O7 K3 80.52(6) . 3_575 ?
B1 O7 K5 101.32(18) 3_575 . ?
La1 O7 K5 97.55(7) . . ?
K1 O7 K5 85.75(6) . . ?
K3 O7 K5 78.36(6) 3_575 . ?
B1 O7 K3 81.93(17) 3_575 . ?
La1 O7 K3 104.98(7) . . ?
K1 O7 K3 85.90(6) . . ?
K3 O7 K3 79.28(6) 3_575 . ?
K5 O7 K3 157.12(8) . . ?
B3 O8 La2 90.95(19) . . ?
B3 O8 K1 166.8(2) . . ?
La2 O8 K1 99.16(8) . . ?
B3 O8 K4 98.3(2) . 2_565 ?
La2 O8 K4 102.04(8) . 2_565 ?
K1 O8 K4 88.03(7) . 2_565 ?
B3 O8 K3 91.73(19) . 4_576 ?
La2 O8 K3 176.85(10) . 4_576 ?
K1 O8 K3 78.44(6) . 4_576 ?
K4 O8 K3 75.94(6) 2_565 4_576 ?
B3 O8 K5 87.3(2) . 2 ?
La2 O8 K5 108.59(8) . 2 ?
K1 O8 K5 81.45(6) . 2 ?
K4 O8 K5 148.79(9) 2_565 2 ?
K3 O8 K5 73.20(6) 4_576 2 ?
B3 O9 Li2 80.2(2) . . ?
B3 O9 La2 91.30(18) . . ?
Li2 O9 La2 171.50(19) . . ?
B3 O9 K2 178.7(2) . . ?
Li2 O9 K2 99.11(18) . . ?
La2 O9 K2 89.37(7) . . ?
B3 O9 K2 99.0(2) . 3_686 ?
Li2 O9 K2 78.78(17) . 3_686 ?
La2 O9 K2 103.16(8) . 3_686 ?
K2 O9 K2 81.90(7) . 3_686 ?
B3 O9 K5 92.5(2) . 4_676 ?
Li2 O9 K5 71.52(17) . 4_676 ?
La2 O9 K5 108.75(8) . 4_676 ?
K2 O9 K5 86.26(7) . 4_676 ?
K2 O9 K5 145.75(9) 3_686 4_676 ?
B4 O10 Li1 81.0(3) . 3_676 ?
B4 O10 La2 92.6(2) . 2_655 ?
Li1 O10 La2 173.37(19) 3_676 2_655 ?
B4 O10 K3 139.4(3) . 2_655 ?
Li1 O10 K3 83.14(15) 3_676 2_655 ?
La2 O10 K3 103.02(10) 2_655 2_655 ?
B4 O10 K5 72.58(17) . 3_575 ?
Li1 O10 K5 79.33(13) 3_676 3_575 ?
La2 O10 K5 97.09(11) 2_655 3_575 ?
K3 O10 K5 139.83(13) 2_655 3_575 ?
B4 O10 K5 139.1(2) . 1_655 ?
Li1 O10 K5 85.32(16) 3_676 1_655 ?
La2 O10 K5 98.48(11) 2_655 1_655 ?
K3 O10 K5 75.81(7) 2_655 1_655 ?
K5 O10 K5 67.01(9) 3_575 1_655 ?
O11B O11A B3 66.1(5) . . ?
O11B O11A Li2 86.7(6) . . ?
B3 O11A Li2 94.8(4) . . ?
O11B O11A Li1 63.4(5) . . ?
B3 O11A Li1 129.1(3) . . ?
Li2 O11A Li1 88.1(3) . . ?
O11B O11A Li2 145.7(7) . 2_656 ?
B3 O11A Li2 147.6(4) . 2_656 ?
Li2 O11A Li2 84.2(4) . 2_656 ?
Li1 O11A Li2 83.3(3) . 2_656 ?
O11B O11A K3 95.0(6) . 4_576 ?
B3 O11A K3 96.2(3) . 4_576 ?
Li2 O11A K3 168.6(4) . 4_576 ?
Li1 O11A K3 82.67(19) . 4_576 ?
Li2 O11A K3 88.1(2) 2_656 4_576 ?
O11A O11B B3 74.9(7) . . ?
O11A O11B Li1 87.6(7) . . ?
B3 O11B Li1 161.4(8) . . ?
O11A O11B Li2 66.7(6) . . ?
B3 O11B Li2 90.0(5) . . ?
Li1 O11B Li2 88.6(4) . . ?
O11A O11B K5 139.1(7) . 2 ?
B3 O11B K5 92.8(4) . 2 ?
Li1 O11B K5 96.6(4) . 2 ?
Li2 O11B K5 153.6(5) . 2 ?
O11A O11B K5 140.1(7) . 4_676 ?
B3 O11B K5 94.4(4) . 4_676 ?
Li1 O11B K5 103.2(4) . 4_676 ?
Li2 O11B K5 75.2(3) . 4_676 ?
K5 O11B K5 78.4(3) 2 4_676 ?
O11A O11B K3 67.1(6) . 4_576 ?
B3 O11B K3 88.2(4) . 4_576 ?
Li1 O11B K3 79.1(3) . 4_576 ?
Li2 O11B K3 132.5(5) . 4_576 ?
K5 O11B K3 73.80(16) 2 4_576 ?
K5 O11B K3 152.2(3) 4_676 4_576 ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        27.59
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         1.038
_refine_diff_density_min         -0.898
_refine_diff_density_rms         0.123
