# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1514763'
_audit_update_record             
;
2016-11-03 deposited with the CCDC.
2016-11-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'B2 La Li O6 Rb2'
_chemical_formula_weight         434.41

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rb Rb -0.9393 2.9676 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c

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

_cell_length_a                   7.2366(16)
_cell_length_b                   9.775(2)
_cell_length_c                   10.199(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.643(2)
_cell_angle_gamma                90.00
_cell_volume                     721.5(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    2051
_cell_measurement_theta_min      2.81
_cell_measurement_theta_max      27.54

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.999
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             768
_exptl_absorpt_coefficient_mu    19.300
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.1480
_exptl_absorpt_correction_T_max  0.4502
_exptl_absorpt_process_details   face-indexed

_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  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            4270
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_av_sigmaI/netI    0.0379
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.89
_diffrn_reflns_theta_max         27.58
_reflns_number_total             1663
_reflns_number_gt                1508
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_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)+(0.0168P)²+3.3394P] 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       0.0032(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         1663
_refine_ls_number_parameters     110
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0304
_refine_ls_R_factor_gt           0.0265
_refine_ls_wR_factor_ref         0.0609
_refine_ls_wR_factor_gt          0.0593
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_restrained_S_all      1.088
_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
Li1 Li 1.0561(12) 0.3443(9) 0.7549(8) 0.0117(17) Uani 1 1 d . . .
Rb1 Rb 0.25120(9) 0.08875(6) 0.95589(6) 0.02112(16) Uani 1 1 d . . .
Rb2 Rb 0.18449(9) 0.07805(6) 0.57804(6) 0.02400(16) Uani 1 1 d . . .
La1 La 0.64263(4) 0.23425(3) 0.74098(3) 0.00934(11) Uani 1 1 d . . .
B1 B 0.8230(9) 0.2308(6) 0.9965(6) 0.0134(12) Uani 1 1 d . . .
B2 B 0.6554(9) -0.0657(7) 0.7323(6) 0.0146(12) Uani 1 1 d . . .
O1 O 0.9108(5) 0.3168(4) 0.6059(3) 0.0149(8) Uani 1 1 d . . .
O2 O 0.9107(5) 0.2858(4) 0.8905(4) 0.0162(8) Uani 1 1 d . . .
O3 O 0.6298(5) 0.2230(4) 0.9913(4) 0.0184(9) Uani 1 1 d . . .
O4 O 0.4819(5) -0.0088(4) 0.7434(4) 0.0170(8) Uani 1 1 d . . .
O5 O 0.3181(5) 0.2963(4) 0.7477(4) 0.0164(8) Uani 1 1 d . . .
O6 O 0.8052(5) 0.0171(4) 0.7078(4) 0.0206(9) 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
Li1 O2 1.838(9) . ?
Li1 O1 1.858(9) . ?
Li1 O5 1.955(10) 1_655 ?
Li1 O6 2.000(10) 2_756 ?
Li1 B2 2.268(11) 2_756 ?
Li1 La1 3.181(9) . ?
Li1 Rb2 3.306(9) 1_655 ?
Li1 Rb2 3.350(9) 2_656 ?
Li1 Rb1 3.438(8) 4_665 ?
Li1 Rb2 3.497(9) 4_666 ?
Li1 Rb1 3.517(9) 1_655 ?
Li1 Rb1 3.896(9) 2_656 ?
Rb1 O4 2.911(4) . ?
Rb1 O1 2.970(4) 2_646 ?
Rb1 O5 2.980(4) . ?
Rb1 O3 3.056(4) . ?
Rb1 O1 3.057(4) 4_466 ?
Rb1 O2 3.193(4) 1_455 ?
Rb1 B1 3.208(6) 3_657 ?
Rb1 O3 3.211(4) 3_657 ?
Rb1 O5 3.213(4) 4_566 ?
Rb1 B2 3.252(6) 3_657 ?
Rb1 B1 3.425(6) 1_455 ?
Rb1 Li1 3.438(8) 4_466 ?
Rb2 O4 2.849(4) . ?
Rb2 O5 2.906(4) . ?
Rb2 O2 2.957(4) 2_646 ?
Rb2 O2 3.045(4) 4_465 ?
Rb2 O6 3.062(4) 3_656 ?
Rb2 O1 3.077(4) 1_455 ?
Rb2 O6 3.118(4) 1_455 ?
Rb2 Li1 3.306(9) 1_455 ?
Rb2 B1 3.313(6) 4_465 ?
Rb2 Li1 3.350(9) 2_646 ?
Rb2 B2 3.385(6) 3_656 ?
Rb2 Rb2 3.4492(13) 3_556 ?
La1 O5 2.427(4) . ?
La1 O6 2.452(4) . ?
La1 O2 2.505(4) . ?
La1 O1 2.525(4) . ?
La1 O3 2.558(4) . ?
La1 O3 2.581(4) 4_565 ?
La1 O4 2.645(4) . ?
La1 O4 2.674(4) 2_656 ?
La1 B1 2.848(6) 4_565 ?
La1 B1 2.902(6) . ?
La1 B2 2.926(7) 2_656 ?
La1 B2 2.935(7) . ?
B1 O1 1.360(7) 4_566 ?
B1 O2 1.370(7) . ?
B1 O3 1.400(7) . ?
B1 La1 2.848(6) 4_566 ?
B1 Rb1 3.208(6) 3_657 ?
B1 Rb2 3.313(6) 4_666 ?
B1 Rb1 3.425(6) 1_655 ?
B1 Rb2 3.479(6) 2_656 ?
B2 O5 1.378(7) 2_646 ?
B2 O6 1.378(8) . ?
B2 O4 1.379(7) . ?
B2 Li1 2.268(11) 2_746 ?
B2 La1 2.926(7) 2_646 ?
B2 Rb1 3.252(6) 3_657 ?
B2 Rb2 3.385(6) 3_656 ?
O1 B1 1.360(7) 4_565 ?
O1 Rb1 2.970(4) 2_656 ?
O1 Rb1 3.057(4) 4_665 ?
O1 Rb2 3.077(4) 1_655 ?
O2 Rb2 2.957(4) 2_656 ?
O2 Rb2 3.045(4) 4_666 ?
O2 Rb1 3.193(4) 1_655 ?
O3 La1 2.581(4) 4_566 ?
O3 Rb1 3.211(4) 3_657 ?
O4 La1 2.674(4) 2_646 ?
O5 B2 1.378(8) 2_656 ?
O5 Li1 1.955(10) 1_455 ?
O5 Rb1 3.213(4) 4_565 ?
O6 Li1 2.000(10) 2_746 ?
O6 Rb2 3.062(4) 3_656 ?
O6 Rb2 3.118(4) 1_655 ?
O6 Rb1 3.610(4) 3_657 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Li1 O1 104.3(5) . . ?
O2 Li1 O5 121.2(5) . 1_655 ?
O1 Li1 O5 118.3(5) . 1_655 ?
O2 Li1 O6 114.2(5) . 2_756 ?
O1 Li1 O6 123.8(5) . 2_756 ?
O5 Li1 O6 74.0(4) 1_655 2_756 ?
O2 Li1 B2 127.7(5) . 2_756 ?
O1 Li1 B2 128.0(5) . 2_756 ?
O5 Li1 B2 37.2(3) 1_655 2_756 ?
O6 Li1 B2 37.0(2) 2_756 2_756 ?
O2 Li1 La1 51.8(3) . . ?
O1 Li1 La1 52.5(2) . . ?
O5 Li1 La1 146.0(4) 1_655 . ?
O6 Li1 La1 139.8(4) 2_756 . ?
B2 Li1 La1 176.8(4) 2_756 . ?
O2 Li1 Rb2 109.4(4) . 1_655 ?
O1 Li1 Rb2 66.4(3) . 1_655 ?
O5 Li1 Rb2 60.8(3) 1_655 1_655 ?
O6 Li1 Rb2 128.7(4) 2_756 1_655 ?
B2 Li1 Rb2 94.2(3) 2_756 1_655 ?
La1 Li1 Rb2 88.8(2) . 1_655 ?
O2 Li1 Rb2 61.6(3) . 2_656 ?
O1 Li1 Rb2 102.8(4) . 2_656 ?
O5 Li1 Rb2 133.8(4) 1_655 2_656 ?
O6 Li1 Rb2 65.8(3) 2_756 2_656 ?
B2 Li1 Rb2 100.9(3) 2_756 2_656 ?
La1 Li1 Rb2 76.07(19) . 2_656 ?
Rb2 Li1 Rb2 164.9(3) 1_655 2_656 ?
O2 Li1 Rb1 166.1(4) . 4_665 ?
O1 Li1 Rb1 62.3(3) . 4_665 ?
O5 Li1 Rb1 66.7(3) 1_655 4_665 ?
O6 Li1 Rb1 78.3(3) 2_756 4_665 ?
B2 Li1 Rb1 65.8(3) 2_756 4_665 ?
La1 Li1 Rb1 114.8(3) . 4_665 ?
Rb2 Li1 Rb1 62.94(15) 1_655 4_665 ?
Rb2 Li1 Rb1 122.8(3) 2_656 4_665 ?
O2 Li1 Rb2 60.5(3) . 4_666 ?
O1 Li1 Rb2 160.8(4) . 4_666 ?
O5 Li1 Rb2 80.8(3) 1_655 4_666 ?
O6 Li1 Rb2 60.7(2) 2_756 4_666 ?
B2 Li1 Rb2 68.1(3) 2_756 4_666 ?
La1 Li1 Rb2 110.8(2) . 4_666 ?
Rb2 Li1 Rb2 127.7(3) 1_655 4_666 ?
Rb2 Li1 Rb2 60.45(15) 2_656 4_666 ?
Rb1 Li1 Rb2 133.4(3) 4_665 4_666 ?
O2 Li1 Rb1 64.6(3) . 1_655 ?
O1 Li1 Rb1 126.5(4) . 1_655 ?
O5 Li1 Rb1 57.9(2) 1_655 1_655 ?
O6 Li1 Rb1 107.0(4) 2_756 1_655 ?
B2 Li1 Rb1 83.0(3) 2_756 1_655 ?
La1 Li1 Rb1 99.0(2) . 1_655 ?
Rb2 Li1 Rb1 69.24(17) 1_655 1_655 ?
Rb2 Li1 Rb1 113.3(2) 2_656 1_655 ?
Rb1 Li1 Rb1 119.1(3) 4_665 1_655 ?
Rb2 Li1 Rb1 60.29(14) 4_666 1_655 ?
O2 Li1 Rb1 106.1(4) . 2_656 ?
O1 Li1 Rb1 47.4(2) . 2_656 ?
O5 Li1 Rb1 132.4(4) 1_655 2_656 ?
O6 Li1 Rb1 82.5(3) 2_756 2_656 ?
B2 Li1 Rb1 108.2(3) 2_756 2_656 ?
La1 Li1 Rb1 69.62(17) . 2_656 ?
Rb2 Li1 Rb1 110.1(2) 1_655 2_656 ?
Rb2 Li1 Rb1 64.24(16) 2_656 2_656 ?
Rb1 Li1 Rb1 68.35(15) 4_665 2_656 ?
Rb2 Li1 Rb1 122.1(2) 4_666 2_656 ?
Rb1 Li1 Rb1 168.6(3) 1_655 2_656 ?
O4 Rb1 O1 77.14(11) . 2_646 ?
O4 Rb1 O5 66.01(11) . . ?
O1 Rb1 O5 121.67(10) 2_646 . ?
O4 Rb1 O3 73.00(11) . . ?
O1 Rb1 O3 139.54(11) 2_646 . ?
O5 Rb1 O3 68.85(11) . . ?
O4 Rb1 O1 160.65(11) . 4_466 ?
O1 Rb1 O1 93.32(10) 2_646 4_466 ?
O5 Rb1 O1 106.81(10) . 4_466 ?
O3 Rb1 O1 122.53(11) . 4_466 ?
O4 Rb1 O2 119.33(10) . 1_455 ?
O1 Rb1 O2 101.18(10) 2_646 1_455 ?
O5 Rb1 O2 64.62(10) . 1_455 ?
O3 Rb1 O2 117.03(11) . 1_455 ?
O1 Rb1 O2 45.40(10) 4_466 1_455 ?
O4 Rb1 B1 83.80(13) . 3_657 ?
O1 Rb1 B1 25.05(13) 2_646 3_657 ?
O5 Rb1 B1 143.09(13) . 3_657 ?
O3 Rb1 B1 123.49(14) . 3_657 ?
O1 Rb1 B1 94.65(13) 4_466 3_657 ?
O2 Rb1 B1 119.29(14) 1_455 3_657 ?
O4 Rb1 O3 70.07(10) . 3_657 ?
O1 Rb1 O3 44.81(10) 2_646 3_657 ?
O5 Rb1 O3 136.08(10) . 3_657 ?
O3 Rb1 O3 98.60(10) . 3_657 ?
O1 Rb1 O3 114.75(10) 4_466 3_657 ?
O2 Rb1 O3 144.36(10) 1_455 3_657 ?
B1 Rb1 O3 25.20(13) 3_657 3_657 ?
O4 Rb1 O5 136.26(11) . 4_566 ?
O1 Rb1 O5 124.37(10) 2_646 4_566 ?
O5 Rb1 O5 113.45(5) . 4_566 ?
O3 Rb1 O5 67.35(10) . 4_566 ?
O1 Rb1 O5 62.92(10) 4_466 4_566 ?
O2 Rb1 O5 95.18(10) 1_455 4_566 ?
B1 Rb1 O5 102.96(13) 3_657 4_566 ?
O3 Rb1 O5 98.01(10) 3_657 4_566 ?
O4 Rb1 B2 126.21(14) . 3_657 ?
O1 Rb1 B2 102.87(14) 2_646 3_657 ?
O5 Rb1 B2 135.26(14) . 3_657 ?
O3 Rb1 B2 74.81(14) . 3_657 ?
O1 Rb1 B2 72.03(13) 4_466 3_657 ?
O2 Rb1 B2 113.44(13) 1_455 3_657 ?
B1 Rb1 B2 79.51(16) 3_657 3_657 ?
O3 Rb1 B2 73.60(13) 3_657 3_657 ?
O5 Rb1 B2 24.60(13) 4_566 3_657 ?
O4 Rb1 B1 138.60(13) . 1_455 ?
O1 Rb1 B1 91.90(13) 2_646 1_455 ?
O5 Rb1 B1 87.97(13) . 1_455 ?
O3 Rb1 B1 128.51(13) . 1_455 ?
O1 Rb1 B1 23.34(12) 4_466 1_455 ?
O2 Rb1 B1 23.56(12) 1_455 1_455 ?
B1 Rb1 B1 102.91(14) 3_657 1_455 ?
O3 Rb1 B1 127.29(13) 3_657 1_455 ?
O5 Rb1 B1 82.71(12) 4_566 1_455 ?
B2 Rb1 B1 95.06(15) 3_657 1_455 ?
O4 Rb1 Li1 165.34(17) . 4_466 ?
O1 Rb1 Li1 101.16(17) 2_646 4_466 ?
O5 Rb1 Li1 125.03(17) . 4_466 ?
O3 Rb1 Li1 100.95(17) . 4_466 ?
O1 Rb1 Li1 32.58(16) 4_466 4_466 ?
O2 Rb1 Li1 75.33(16) 1_455 4_466 ?
B1 Rb1 Li1 88.87(18) 3_657 4_466 ?
O3 Rb1 Li1 98.27(17) 3_657 4_466 ?
O5 Rb1 Li1 33.97(17) 4_566 4_466 ?
B2 Rb1 Li1 39.51(19) 3_657 4_466 ?
B1 Rb1 Li1 55.56(18) 1_455 4_466 ?
O4 Rb2 O5 67.79(11) . . ?
O4 Rb2 O2 79.82(11) . 2_646 ?
O5 Rb2 O2 136.14(11) . 2_646 ?
O4 Rb2 O2 169.79(11) . 4_465 ?
O5 Rb2 O2 105.26(11) . 4_465 ?
O2 Rb2 O2 109.86(9) 2_646 4_465 ?
O4 Rb2 O6 116.54(11) . 3_656 ?
O5 Rb2 O6 141.14(11) . 3_656 ?
O2 Rb2 O6 79.52(10) 2_646 3_656 ?
O2 Rb2 O6 63.72(10) 4_465 3_656 ?
O4 Rb2 O1 130.87(10) . 1_455 ?
O5 Rb2 O1 66.31(10) . 1_455 ?
O2 Rb2 O1 124.90(10) 2_646 1_455 ?
O2 Rb2 O1 46.47(10) 4_465 1_455 ?
O6 Rb2 O1 109.93(10) 3_656 1_455 ?
O4 Rb2 O6 110.77(11) . 1_455 ?
O5 Rb2 O6 100.14(11) . 1_455 ?
O2 Rb2 O6 64.03(11) 2_646 1_455 ?
O2 Rb2 O6 77.31(11) 4_465 1_455 ?
O6 Rb2 O6 112.15(9) 3_656 1_455 ?
O1 Rb2 O6 62.30(10) 1_455 1_455 ?
O4 Rb2 Li1 97.26(17) . 1_455 ?
O5 Rb2 Li1 35.96(17) . 1_455 ?
O2 Rb2 Li1 129.35(17) 2_646 1_455 ?
O2 Rb2 Li1 79.28(17) 4_465 1_455 ?
O6 Rb2 Li1 140.25(17) 3_656 1_455 ?
O1 Rb2 Li1 33.62(17) 1_455 1_455 ?
O6 Rb2 Li1 70.41(17) 1_455 1_455 ?
O4 Rb2 B1 154.92(13) . 4_465 ?
O5 Rb2 B1 89.54(14) . 4_465 ?
O2 Rb2 B1 112.82(13) 2_646 4_465 ?
O2 Rb2 B1 24.42(12) 4_465 4_465 ?
O6 Rb2 B1 87.71(13) 3_656 4_465 ?
O1 Rb2 B1 24.21(12) 1_455 4_465 ?
O6 Rb2 B1 61.17(13) 1_455 4_465 ?
Li1 Rb2 B1 57.80(19) 1_455 4_465 ?
O4 Rb2 Li1 83.64(17) . 2_646 ?
O5 Rb2 Li1 111.68(17) . 2_646 ?
O2 Rb2 Li1 33.15(17) 2_646 2_646 ?
O2 Rb2 Li1 106.21(18) 4_465 2_646 ?
O6 Rb2 Li1 107.17(17) 3_656 2_646 ?
O1 Rb2 Li1 97.58(17) 1_455 2_646 ?
O6 Rb2 Li1 35.79(17) 1_455 2_646 ?
Li1 Rb2 Li1 96.24(4) 1_455 2_646 ?
B1 Rb2 Li1 95.67(19) 4_465 2_646 ?
O4 Rb2 B2 106.18(13) . 3_656 ?
O5 Rb2 B2 117.90(14) . 3_656 ?
O2 Rb2 B2 98.61(13) 2_646 3_656 ?
O2 Rb2 B2 69.84(13) 4_465 3_656 ?
O6 Rb2 B2 24.02(13) 3_656 3_656 ?
O1 Rb2 B2 109.92(13) 1_455 3_656 ?
O6 Rb2 B2 134.61(14) 1_455 3_656 ?
Li1 Rb2 B2 129.76(19) 1_455 3_656 ?
B1 Rb2 B2 93.62(15) 4_465 3_656 ?
Li1 Rb2 B2 129.53(19) 2_646 3_656 ?
O4 Rb2 Rb2 135.83(8) . 3_556 ?
O5 Rb2 Rb2 148.25(8) . 3_556 ?
O2 Rb2 Rb2 56.13(8) 2_646 3_556 ?
O2 Rb2 Rb2 53.73(8) 4_465 3_556 ?
O6 Rb2 Rb2 56.85(7) 3_656 3_556 ?
O1 Rb2 Rb2 83.25(7) 1_455 3_556 ?
O6 Rb2 Rb2 55.30(8) 1_455 3_556 ?
Li1 Rb2 Rb2 112.29(16) 1_455 3_556 ?
B1 Rb2 Rb2 61.88(11) 4_465 3_556 ?
Li1 Rb2 Rb2 61.89(15) 2_646 3_556 ?
B2 Rb2 Rb2 79.87(11) 3_656 3_556 ?
O5 La1 O6 133.31(13) . . ?
O5 La1 O2 132.48(13) . . ?
O6 La1 O2 83.62(14) . . ?
O5 La1 O1 133.26(13) . . ?
O6 La1 O1 80.13(13) . . ?
O2 La1 O1 70.93(12) . . ?
O5 La1 O3 86.36(13) . . ?
O6 La1 O3 97.10(14) . . ?
O2 La1 O3 55.78(12) . . ?
O1 La1 O3 126.51(12) . . ?
O5 La1 O3 87.91(13) . 4_565 ?
O6 La1 O3 90.90(13) . 4_565 ?
O2 La1 O3 125.94(12) . 4_565 ?
O1 La1 O3 55.19(12) . 4_565 ?
O3 La1 O3 172.00(9) . 4_565 ?
O5 La1 O4 78.37(12) . . ?
O6 La1 O4 55.64(12) . . ?
O2 La1 O4 120.84(12) . . ?
O1 La1 O4 129.26(12) . . ?
O3 La1 O4 86.06(12) . . ?
O3 La1 O4 98.26(13) 4_565 . ?
O5 La1 O4 55.72(12) . 2_656 ?
O6 La1 O4 169.70(12) . 2_656 ?
O2 La1 O4 91.94(13) . 2_656 ?
O1 La1 O4 89.64(12) . 2_656 ?
O3 La1 O4 87.99(13) . 2_656 ?
O3 La1 O4 84.17(12) 4_565 2_656 ?
O4 La1 O4 133.99(2) . 2_656 ?
O5 La1 B1 116.61(16) . 4_565 ?
O6 La1 B1 75.97(16) . 4_565 ?
O2 La1 B1 98.60(16) . 4_565 ?
O1 La1 B1 28.52(15) . 4_565 ?
O3 La1 B1 154.30(16) . 4_565 ?
O3 La1 B1 29.37(15) 4_565 4_565 ?
O4 La1 B1 108.77(15) . 4_565 ?
O4 La1 B1 95.60(15) 2_656 4_565 ?
O5 La1 B1 113.77(15) . . ?
O6 La1 B1 84.40(16) . . ?
O2 La1 B1 28.14(15) . . ?
O1 La1 B1 98.81(15) . . ?
O3 La1 B1 28.85(15) . . ?
O3 La1 B1 153.99(16) 4_565 . ?
O4 La1 B1 100.06(15) . . ?
O4 La1 B1 96.07(15) 2_656 . ?
B1 La1 B1 125.6(2) 4_565 . ?
O5 La1 B2 27.88(15) . 2_656 ?
O6 La1 B2 161.19(16) . 2_656 ?
O2 La1 B2 112.03(15) . 2_656 ?
O1 La1 B2 114.13(15) . 2_656 ?
O3 La1 B2 84.30(15) . 2_656 ?
O3 La1 B2 88.02(15) 4_565 2_656 ?
O4 La1 B2 105.95(15) . 2_656 ?
O4 La1 B2 28.05(15) 2_656 2_656 ?
B1 La1 B2 110.30(17) 4_565 2_656 ?
B1 La1 B2 104.39(17) . 2_656 ?
O5 La1 B2 106.32(16) . . ?
O6 La1 B2 27.84(15) . . ?
O2 La1 B2 101.25(15) . . ?
O1 La1 B2 106.16(15) . . ?
O3 La1 B2 89.36(15) . . ?
O3 La1 B2 97.62(15) 4_565 . ?
O4 La1 B2 28.00(15) . . ?
O4 La1 B2 161.98(15) 2_656 . ?
B1 La1 B2 94.50(18) 4_565 . ?
B1 La1 B2 90.10(17) . . ?
B2 La1 B2 133.94(11) 2_656 . ?
O1 B1 O2 124.5(5) 4_566 . ?
O1 B1 O3 118.0(5) 4_566 . ?
O2 B1 O3 117.5(5) . . ?
O1 B1 La1 62.5(3) 4_566 4_566 ?
O2 B1 La1 149.9(4) . 4_566 ?
O3 B1 La1 64.7(3) . 4_566 ?
O1 B1 La1 160.4(4) 4_566 . ?
O2 B1 La1 59.6(3) . . ?
O3 B1 La1 61.8(3) . . ?
La1 B1 La1 125.4(2) 4_566 . ?
O1 B1 Rb1 67.6(3) 4_566 3_657 ?
O2 B1 Rb1 125.6(4) . 3_657 ?
O3 B1 Rb1 77.5(3) . 3_657 ?
La1 B1 Rb1 84.55(16) 4_566 3_657 ?
La1 B1 Rb1 94.17(17) . 3_657 ?
O1 B1 Rb2 68.1(3) 4_566 4_666 ?
O2 B1 Rb2 66.8(3) . 4_666 ?
O3 B1 Rb2 145.6(4) . 4_666 ?
La1 B1 Rb2 94.65(16) 4_566 4_666 ?
La1 B1 Rb2 124.4(2) . 4_666 ?
Rb1 B1 Rb2 130.1(2) 3_657 4_666 ?
O1 B1 Rb1 62.9(3) 4_566 1_655 ?
O2 B1 Rb1 68.7(3) . 1_655 ?
O3 B1 Rb1 151.3(4) . 1_655 ?
La1 B1 Rb1 125.4(2) 4_566 1_655 ?
La1 B1 Rb1 107.12(17) . 1_655 ?
Rb1 B1 Rb1 77.09(14) 3_657 1_655 ?
Rb2 B1 Rb1 63.01(11) 4_666 1_655 ?
O1 B1 Rb2 121.3(4) 4_566 2_656 ?
O2 B1 Rb2 56.7(3) . 2_656 ?
O3 B1 Rb2 91.8(3) . 2_656 ?
La1 B1 Rb2 93.92(16) 4_566 2_656 ?
La1 B1 Rb2 77.68(14) . 2_656 ?
Rb1 B1 Rb2 168.9(2) 3_657 2_656 ?
Rb2 B1 Rb2 60.99(11) 4_666 2_656 ?
Rb1 B1 Rb2 112.40(17) 1_655 2_656 ?
O5 B2 O6 119.6(5) 2_646 . ?
O5 B2 O4 120.6(5) 2_646 . ?
O6 B2 O4 119.8(5) . . ?
O5 B2 Li1 59.0(4) 2_646 2_746 ?
O6 B2 Li1 60.8(4) . 2_746 ?
O4 B2 Li1 171.9(5) . 2_746 ?
O5 B2 La1 55.5(3) 2_646 2_646 ?
O6 B2 La1 172.5(4) . 2_646 ?
O4 B2 La1 65.8(3) . 2_646 ?
Li1 B2 La1 114.5(3) 2_746 2_646 ?
O5 B2 La1 168.0(4) 2_646 . ?
O6 B2 La1 56.2(3) . . ?
O4 B2 La1 64.2(3) . . ?
Li1 B2 La1 114.5(3) 2_746 . ?
La1 B2 La1 129.9(2) 2_646 . ?
O5 B2 Rb1 76.1(3) 2_646 3_657 ?
O6 B2 Rb1 93.6(3) . 3_657 ?
O4 B2 Rb1 97.3(3) . 3_657 ?
Li1 B2 Rb1 74.7(3) 2_746 3_657 ?
La1 B2 Rb1 90.46(16) 2_646 3_657 ?
La1 B2 Rb1 92.63(17) . 3_657 ?
O5 B2 Rb2 93.1(3) 2_646 3_656 ?
O6 B2 Rb2 64.7(3) . 3_656 ?
O4 B2 Rb2 114.4(3) . 3_656 ?
Li1 B2 Rb2 73.5(3) 2_746 3_656 ?
La1 B2 Rb2 108.89(19) 2_646 3_656 ?
La1 B2 Rb2 94.30(17) . 3_656 ?
Rb1 B2 Rb2 147.4(2) 3_657 3_656 ?
B1 O1 Li1 167.3(5) 4_565 . ?
B1 O1 La1 89.0(3) 4_565 . ?
Li1 O1 La1 91.8(3) . . ?
B1 O1 Rb1 87.3(3) 4_565 2_656 ?
Li1 O1 Rb1 105.2(3) . 2_656 ?
La1 O1 Rb1 95.62(12) . 2_656 ?
B1 O1 Rb1 93.7(3) 4_565 4_665 ?
Li1 O1 Rb1 85.1(3) . 4_665 ?
La1 O1 Rb1 176.50(15) . 4_665 ?
Rb1 O1 Rb1 86.68(10) 2_656 4_665 ?
B1 O1 Rb2 87.7(3) 4_565 1_655 ?
Li1 O1 Rb2 80.0(3) . 1_655 ?
La1 O1 Rb2 107.89(13) . 1_655 ?
Rb1 O1 Rb2 155.86(14) 2_656 1_655 ?
Rb1 O1 Rb2 70.10(8) 4_665 1_655 ?
B1 O2 Li1 171.9(5) . . ?
B1 O2 La1 92.3(3) . . ?
Li1 O2 La1 92.9(3) . . ?
B1 O2 Rb2 100.5(3) . 2_656 ?
Li1 O2 Rb2 85.3(3) . 2_656 ?
La1 O2 Rb2 94.64(13) . 2_656 ?
B1 O2 Rb2 88.8(3) . 4_666 ?
Li1 O2 Rb2 87.9(3) . 4_666 ?
La1 O2 Rb2 164.66(17) . 4_666 ?
Rb2 O2 Rb2 70.14(9) 2_656 4_666 ?
B1 O2 Rb1 87.8(3) . 1_655 ?
Li1 O2 Rb1 84.1(3) . 1_655 ?
La1 O2 Rb1 126.60(15) . 1_655 ?
Rb2 O2 Rb1 137.77(14) 2_656 1_655 ?
Rb2 O2 Rb1 68.72(8) 4_666 1_655 ?
B1 O3 La1 89.3(3) . . ?
B1 O3 La1 85.9(3) . 4_566 ?
La1 O3 La1 167.52(18) . 4_566 ?
B1 O3 Rb1 157.1(4) . . ?
La1 O3 Rb1 86.73(11) . . ?
La1 O3 Rb1 102.02(12) 4_566 . ?
B1 O3 Rb1 77.3(3) . 3_657 ?
La1 O3 Rb1 101.27(13) . 3_657 ?
La1 O3 Rb1 88.93(11) 4_566 3_657 ?
Rb1 O3 Rb1 81.40(10) . 3_657 ?
B2 O4 La1 87.8(3) . . ?
B2 O4 La1 86.2(3) . 2_646 ?
La1 O4 La1 173.06(16) . 2_646 ?
B2 O4 Rb2 138.9(3) . . ?
La1 O4 Rb2 93.22(12) . . ?
La1 O4 Rb2 93.57(12) 2_646 . ?
B2 O4 Rb1 136.4(3) . . ?
La1 O4 Rb1 88.21(11) . . ?
La1 O4 Rb1 93.83(11) 2_646 . ?
Rb2 O4 Rb1 84.69(10) . . ?
B2 O5 Li1 83.9(4) 2_656 1_455 ?
B2 O5 La1 96.6(3) 2_656 . ?
Li1 O5 La1 179.2(3) 1_455 . ?
B2 O5 Rb2 148.4(3) 2_656 . ?
Li1 O5 Rb2 83.2(3) 1_455 . ?
La1 O5 Rb2 96.62(13) . . ?
B2 O5 Rb1 125.8(3) 2_656 . ?
Li1 O5 Rb1 88.3(3) 1_455 . ?
La1 O5 Rb1 90.86(12) . . ?
Rb2 O5 Rb1 82.47(10) . . ?
B2 O5 Rb1 79.3(3) 2_656 4_565 ?
Li1 O5 Rb1 79.3(3) 1_455 4_565 ?
La1 O5 Rb1 101.36(13) . 4_565 ?
Rb2 O5 Rb1 70.09(9) . 4_565 ?
Rb1 O5 Rb1 150.95(14) . 4_565 ?
B2 O6 Li1 82.1(4) . 2_746 ?
B2 O6 La1 96.0(3) . . ?
Li1 O6 La1 161.0(3) 2_746 . ?
B2 O6 Rb2 91.3(3) . 3_656 ?
Li1 O6 Rb2 84.6(3) 2_746 3_656 ?
La1 O6 Rb2 114.29(15) . 3_656 ?
B2 O6 Rb2 152.5(4) . 1_655 ?
Li1 O6 Rb2 78.5(3) 2_746 1_655 ?
La1 O6 Rb2 108.62(13) . 1_655 ?
Rb2 O6 Rb2 67.85(9) 3_656 1_655 ?
B2 O6 Rb1 64.0(3) . 3_657 ?
Li1 O6 Rb1 68.8(3) 2_746 3_657 ?
La1 O6 Rb1 93.29(12) . 3_657 ?
Rb2 O6 Rb1 145.26(13) 3_656 3_657 ?
Rb2 O6 Rb1 124.57(13) 1_655 3_657 ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        27.58
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         1.200
_refine_diff_density_min         -1.109
_refine_diff_density_rms         0.198
