# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry C.
# This journal is © The Royal Society of Chemistry 2014

  
data_2 
  
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'B7 Li4 O14 Rb3' 
_chemical_formula_weight          583.84 
  
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' 
 'Rb'  'Rb'  -0.9393   2.9676 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_symmetry_cell_setting            Trigonal 
_symmetry_space_group_name_H-M    P3(1)21 
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-y, x-y, z+1/3' 
 '-x+y, -x, z+2/3' 
 'y, x, -z' 
 'x-y, -y, -z+2/3' 
 '-x, -x+y, -z+1/3' 
  
_cell_length_a                    6.8765(5) 
_cell_length_b                    6.8765(5) 
_cell_length_c                    25.923(4) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 120.00 
_cell_volume                      1061.56(19) 
_cell_formula_units_Z             3 
_cell_measurement_temperature     296(2) 
_cell_measurement_reflns_used     2811 
_cell_measurement_theta_min       2.36 
_cell_measurement_theta_max       27.46 
  
_exptl_crystal_description        block 
_exptl_crystal_colour             colorless 
_exptl_crystal_size_max           0.20 
_exptl_crystal_size_mid           0.193 
_exptl_crystal_size_min           0.11 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     2.740 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              810 
_exptl_absorpt_coefficient_mu     10.403 
_exptl_absorpt_correction_type    Numerical 
_exptl_absorpt_correction_T_min   0.3623 
_exptl_absorpt_correction_T_max   0.5853 
_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   '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             6472 
_diffrn_reflns_av_R_equivalents   0.0321 
_diffrn_reflns_av_sigmaI/netI     0.0389 
_diffrn_reflns_limit_h_min        -8 
_diffrn_reflns_limit_h_max        5 
_diffrn_reflns_limit_k_min        -7 
_diffrn_reflns_limit_k_max        8 
_diffrn_reflns_limit_l_min        -33 
_diffrn_reflns_limit_l_max        33 
_diffrn_reflns_theta_min          2.36 
_diffrn_reflns_theta_max          27.46 
_reflns_number_total              1618 
_reflns_number_gt                 1505 
_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)+(0.0034P)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      none 
_refine_ls_extinction_coef        ? 
_refine_ls_abs_structure_details 
 'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    0.005(9) 
_refine_ls_number_reflns          1618 
_refine_ls_number_parameters      129 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0234 
_refine_ls_R_factor_gt            0.0202 
_refine_ls_wR_factor_ref          0.0442 
_refine_ls_wR_factor_gt           0.0433 
_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 
Rb1 Rb 0.46583(6) 0.99098(5) 0.059365(10) 0.01987(9) Uani 1 1 d . . . 
Rb2 Rb 0.0000 1.10579(6) 0.1667 0.01983(11) Uani 1 2 d S . . 
O1 O 0.1703(3) 0.5066(3) 0.08948(7) 0.0107(4) Uani 1 1 d . . . 
O2 O -0.0530(3) 0.9418(3) 0.04603(7) 0.0182(5) Uani 1 1 d . . . 
O3 O 0.8081(3) 1.4114(3) 0.12226(7) 0.0111(4) Uani 1 1 d . . . 
O4 O 0.5877(4) 0.9265(4) -0.04079(7) 0.0200(5) Uani 1 1 d . . . 
O5 O 0.4968(4) 1.4001(3) 0.16396(7) 0.0110(4) Uani 1 1 d . . . 
O6 O 0.6480(3) 0.6275(3) 0.09028(7) 0.0102(4) Uani 1 1 d . . . 
O7 O 0.6413(4) 0.6413(4) 0.0000 0.0093(6) Uani 1 2 d S . . 
O8 O 0.2414(5) 1.2414(5) 0.0000 0.0343(9) Uani 1 2 d S . . 
B1 B 0.7937(6) 0.7017(6) 0.04362(11) 0.0102(6) Uani 1 1 d . . . 
B2 B 0.6478(5) 1.4799(5) 0.12642(12) 0.0080(6) Uani 1 1 d . . . 
B3 B -0.0198(6) 0.5062(6) 0.08356(11) 0.0093(7) Uani 1 1 d . . . 
B4 B 0.0478(8) 1.0478(8) 0.0000 0.0179(11) Uani 1 2 d S . . 
Li1 Li 0.3616(8) 1.4739(8) 0.04393(18) 0.0145(11) Uani 1 1 d . . . 
Li2 Li 0.3803(9) 0.6001(8) 0.14372(18) 0.0140(11) Uani 1 1 d . . . 
  
  
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
  
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Rb1 O4 2.8304(19) . ? 
Rb1 O5 2.9525(19) 6_655 ? 
Rb1 O1 3.011(2) . ? 
Rb1 O3 3.1226(19) . ? 
Rb1 O8 3.221(3) . ? 
Rb1 Li1 3.282(5) 1_545 ? 
Rb1 O4 3.375(3) 4_455 ? 
Rb1 O6 3.4047(19) . ? 
Rb1 O2 3.428(2) . ? 
Rb1 O2 3.508(2) 1_655 ? 
Rb1 O7 3.537(3) . ? 
Rb1 B3 3.595(3) 1_665 ? 
Rb2 O5 2.976(2) . ? 
Rb2 O5 2.976(2) 6 ? 
Rb2 O1 3.1214(19) 6_565 ? 
Rb2 O1 3.1214(19) 1_565 ? 
Rb2 Li2 3.140(5) 1_565 ? 
Rb2 Li2 3.140(5) 6_565 ? 
Rb2 O3 3.203(2) 1_455 ? 
Rb2 O3 3.203(2) 6_665 ? 
Rb2 O2 3.282(2) . ? 
Rb2 O2 3.282(2) 6 ? 
Rb2 B3 3.552(3) 1_565 ? 
Rb2 B3 3.552(3) 6_565 ? 
O1 B3 1.315(4) . ? 
O1 Li1 1.863(5) 1_545 ? 
O1 Li2 1.883(5) . ? 
O1 Rb2 3.1214(19) 1_545 ? 
O2 B4 1.389(3) . ? 
O2 B1 1.450(4) 1_455 ? 
O2 Rb1 3.507(2) 1_455 ? 
O3 B2 1.403(4) . ? 
O3 B3 1.435(4) 1_665 ? 
O3 Li2 2.181(5) 6_665 ? 
O3 Rb2 3.203(2) 1_655 ? 
O4 B3 1.373(3) 4_565 ? 
O4 B1 1.473(4) 4 ? 
O4 Rb1 3.375(3) 4_565 ? 
O5 B2 1.326(4) . ? 
O5 Li2 1.935(5) 6_665 ? 
O5 Li2 1.977(5) 1_565 ? 
O5 Rb1 2.9526(19) 6_665 ? 
O6 B2 1.380(4) 1_545 ? 
O6 B1 1.489(3) . ? 
O6 Li1 2.088(5) 1_545 ? 
O6 Li2 2.235(5) . ? 
O6 Rb2 3.5548(19) 1_655 ? 
O7 B1 1.454(3) 4 ? 
O7 B1 1.454(3) . ? 
O7 Li1 2.027(5) 4_455 ? 
O7 Li1 2.027(5) 1_545 ? 
O7 Rb 13.537(3) 4 ? 
O8 B4 1.331(6) . ? 
O8 Li1 1.793(5) 4_465 ? 
O8 Li1 1.793(5) . ? 
O8 Rb1 3.221(3) 4_465 ? 
B1 O2 1.450(4) 1_655 ? 
B1 O4 1.473(4) 4 ? 
B1 Li1 2.574(6) 1_545 ? 
B1 Rb1 3.715(3) 4 ? 
B2 O6 1.380(4) 1_565 ? 
B2 Li2 2.361(6) 6_665 ? 
B2 Li2 2.406(6) 1_565 ? 
B3 O4 1.373(3) 4_455 ? 
B3 O3 1.435(4) 1_445 ? 
B3 Rb2 3.552(3) 1_545 ? 
B3 Rb1 3.595(3) 1_445 ? 
B3 Rb1 3.719(3) 4_455 ? 
B4 O2 1.389(3) 4_465 ? 
B4 Rb1 3.4507(19) 4_465 ? 
Li1 O1 1.863(5) 1_565 ? 
Li1 O7 2.027(5) 1_565 ? 
Li1 O6 2.088(5) 1_565 ? 
Li1 B1 2.574(6) 1_565 ? 
Li1 Li1 2.641(9) 4_465 ? 
Li1 Li2 2.711(6) 1_565 ? 
Li1 Rb1 3.282(5) 1_565 ? 
Li1 Rb1 3.678(5) 4_465 ? 
Li2 O5 1.935(5) 6_655 ? 
Li2 O5 1.977(5) 1_545 ? 
Li2 O3 2.181(5) 6_655 ? 
Li2 B2 2.361(6) 6_655 ? 
Li2 B2 2.406(6) 1_545 ? 
Li2 Li1 2.711(6) 1_545 ? 
Li2 Rb2 3.140(5) 1_545 ? 
Li2 Rb1 3.651(5) 6_655 ? 
Li2 Rb2 3.973(5) 1_655 ? 
  
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 Rb1 O5 142.30(6) . 6_655 ? 
O4 Rb1 O1 98.83(6) . . ? 
O5 Rb1 O1 66.62(5) 6_655 . ? 
O4 Rb1 O3 118.61(6) . . ? 
O5 Rb1 O3 65.32(5) 6_655 . ? 
O1 Rb1 O3 131.93(5) . . ? 
O4 Rb1 O8 84.49(4) . . ? 
O5 Rb1 O8 133.21(4) 6_655 . ? 
O1 Rb1 O8 118.47(7) . . ? 
O3 Rb1 O8 95.47(6) . . ? 
O4 Rb1 Li1 68.88(9) . 1_545 ? 
O5 Rb1 Li1 83.73(9) 6_655 1_545 ? 
O1 Rb1 Li1 34.10(9) . 1_545 ? 
O3 Rb1 Li1 136.22(9) . 1_545 ? 
O8 Rb1 Li1 128.15(10) . 1_545 ? 
O4 Rb1 O4 91.73(6) . 4_455 ? 
O5 Rb1 O4 98.17(5) 6_655 4_455 ? 
O1 Rb1 O4 43.23(5) . 4_455 ? 
O3 Rb1 O4 147.68(5) . 4_455 ? 
O8 Rb1 O4 75.39(7) . 4_455 ? 
Li1 Rb1 O4 62.44(9) 1_545 4_455 ? 
O4 Rb1 O6 81.63(5) . . ? 
O5 Rb1 O6 61.39(5) 6_655 . ? 
O1 Rb1 O6 54.50(5) . . ? 
O3 Rb1 O6 99.97(5) . . ? 
O8 Rb1 O6 162.87(4) . . ? 
Li1 Rb1 O6 36.33(9) 1_545 . ? 
O4 Rb1 O6 94.98(5) 4_455 . ? 
O4 Rb1 O2 105.49(6) . . ? 
O5 Rb1 O2 105.65(5) 6_655 . ? 
O1 Rb1 O2 79.84(5) . . ? 
O3 Rb1 O2 114.16(5) . . ? 
O8 Rb1 O2 41.53(6) . . ? 
Li1 Rb1 O2 103.19(9) 1_545 . ? 
O4 Rb1 O2 40.80(5) 4_455 . ? 
O6 Rb1 O2 134.27(5) . . ? 
O4 Rb1 O2 61.77(5) . 1_655 ? 
O5 Rb1 O2 83.85(5) 6_655 1_655 ? 
O1 Rb1 O2 93.80(5) . 1_655 ? 
O3 Rb1 O2 80.21(5) . 1_655 ? 
O8 Rb1 O2 137.04(5) . 1_655 ? 
Li1 Rb1 O2 65.73(9) 1_545 1_655 ? 
O4 Rb1 O2 127.50(5) 4_455 1_655 ? 
O6 Rb1 O2 40.64(5) . 1_655 ? 
O2 Rb1 O2 164.99(7) . 1_655 ? 
O4 Rb1 O7 42.77(4) . . ? 
O5 Rb1 O7 100.80(4) 6_655 . ? 
O1 Rb1 O7 68.39(5) . . ? 
O3 Rb1 O7 120.08(5) . . ? 
O8 Rb1 O7 124.975(15) . . ? 
Li1 Rb1 O7 34.32(9) 1_545 . ? 
O4 Rb1 O7 89.29(5) 4_455 . ? 
O6 Rb1 O7 39.41(3) . . ? 
O2 Rb1 O7 125.53(5) . . ? 
O2 Rb1 O7 39.87(5) 1_655 . ? 
O4 Rb1 B3 95.28(7) . 1_665 ? 
O5 Rb1 B3 83.65(6) 6_655 1_665 ? 
O1 Rb1 B3 146.33(6) . 1_665 ? 
O3 Rb1 B3 23.34(6) . 1_665 ? 
O8 Rb1 B3 93.14(8) . 1_665 ? 
Li1 Rb1 B3 131.56(10) 1_545 1_665 ? 
O4 Rb1 B3 165.94(6) 4_455 1_665 ? 
O6 Rb1 B3 98.09(6) . 1_665 ? 
O2 Rb1 B3 125.25(6) . 1_665 ? 
O2 Rb1 B3 66.52(6) 1_655 1_665 ? 
O7 Rb1 B3 104.12(6) . 1_665 ? 
O5 Rb2 O5 167.82(8) . 6 ? 
O5 Rb2 O1 105.33(5) . 6_565 ? 
O5 Rb2 O1 65.67(5) 6 6_565 ? 
O5 Rb2 O1 65.67(5) . 1_565 ? 
O5 Rb2 O1 105.33(5) 6 1_565 ? 
O1 Rb2 O1 91.89(7) 6_565 1_565 ? 
O5 Rb2 Li2 37.61(10) . 1_565 ? 
O5 Rb2 Li2 130.61(10) 6 1_565 ? 
O1 Rb2 Li2 83.84(10) 6_565 1_565 ? 
O1 Rb2 Li2 35.01(9) 1_565 1_565 ? 
O5 Rb2 Li2 130.60(10) . 6_565 ? 
O5 Rb2 Li2 37.61(10) 6 6_565 ? 
O1 Rb2 Li2 35.01(9) 6_565 6_565 ? 
O1 Rb2 Li2 83.84(10) 1_565 6_565 ? 
Li2 Rb2 Li2 96.46(18) 1_565 6_565 ? 
O5 Rb2 O3 104.76(5) . 1_455 ? 
O5 Rb2 O3 64.04(5) 6 1_455 ? 
O1 Rb2 O3 60.98(5) 6_565 1_455 ? 
O1 Rb2 O3 44.44(5) 1_565 1_455 ? 
Li2 Rb2 O3 67.35(10) 1_565 1_455 ? 
Li2 Rb2 O3 40.21(9) 6_565 1_455 ? 
O5 Rb2 O3 64.04(5) . 6_665 ? 
O5 Rb2 O3 104.76(5) 6 6_665 ? 
O1 Rb2 O3 44.44(5) 6_565 6_665 ? 
O1 Rb2 O3 60.98(5) 1_565 6_665 ? 
Li2 Rb2 O3 40.21(9) 1_565 6_665 ? 
Li2 Rb2 O3 67.35(10) 6_565 6_665 ? 
O3 Rb2 O3 60.87(7) 1_455 6_665 ? 
O5 Rb2 O2 95.95(5) . . ? 
O5 Rb2 O2 87.57(5) 6 . ? 
O1 Rb2 O2 141.24(5) 6_565 . ? 
O1 Rb2 O2 67.71(5) 1_565 . ? 
Li2 Rb2 O2 94.63(9) 1_565 . ? 
Li2 Rb2 O2 107.65(10) 6_565 . ? 
O3 Rb2 O2 82.62(5) 1_455 . ? 
O3 Rb2 O2 128.69(5) 6_665 . ? 
O5 Rb2 O2 87.57(5) . 6 ? 
O5 Rb2 O2 95.95(5) 6 6 ? 
O1 Rb2 O2 67.71(5) 6_565 6 ? 
O1 Rb2 O2 141.25(5) 1_565 6 ? 
Li2 Rb2 O2 107.65(10) 1_565 6 ? 
Li2 Rb2 O2 94.62(9) 6_565 6 ? 
O3 Rb2 O2 128.69(5) 1_455 6 ? 
O3 Rb2 O2 82.62(5) 6_665 6 ? 
O2 Rb2 O2 146.52(8) . 6 ? 
O5 Rb2 B3 86.24(7) . 1_565 ? 
O5 Rb2 B3 84.08(7) 6 1_565 ? 
O1 Rb2 B3 79.95(6) 6_565 1_565 ? 
O1 Rb2 B3 21.51(6) 1_565 1_565 ? 
Li2 Rb2 B3 51.68(11) 1_565 1_565 ? 
Li2 Rb2 B3 64.01(10) 6_565 1_565 ? 
O3 Rb2 B3 23.82(6) 1_455 1_565 ? 
O3 Rb2 B3 62.93(6) 6_665 1_565 ? 
O2 Rb2 B3 69.38(6) . 1_565 ? 
O2 Rb2 B3 144.08(6) 6 1_565 ? 
O5 Rb2 B3 84.08(7) . 6_565 ? 
O5 Rb2 B3 86.24(7) 6 6_565 ? 
O1 Rb2 B3 21.51(6) 6_565 6_565 ? 
O1 Rb2 B3 79.96(6) 1_565 6_565 ? 
Li2 Rb2 B3 64.01(10) 1_565 6_565 ? 
Li2 Rb2 B3 51.67(11) 6_565 6_565 ? 
O3 Rb2 B3 62.93(6) 1_455 6_565 ? 
O3 Rb2 B3 23.82(6) 6_665 6_565 ? 
O2 Rb2 B3 144.09(6) . 6_565 ? 
O2 Rb2 B3 69.37(6) 6 6_565 ? 
B3 Rb2 B3 74.80(10) 1_565 6_565 ? 
B3 O1 Li1 133.4(2) . 1_545 ? 
B3 O1 Li2 132.8(2) . . ? 
Li1 O1 Li2 92.7(2) 1_545 . ? 
B3 O1 Rb1 95.30(18) . . ? 
Li1 O1 Rb1 80.94(17) 1_545 . ? 
Li2 O1 Rb1 80.66(16) . . ? 
B3 O1 Rb2 98.00(18) . 1_545 ? 
Li1 O1 Rb2 106.00(17) 1_545 1_545 ? 
Li2 O1 Rb2 73.03(16) . 1_545 ? 
Rb1 O1 Rb2 152.97(7) . 1_545 ? 
B4 O2 B1 116.6(3) . 1_455 ? 
B4 O2 Rb2 134.2(2) . . ? 
B1 O2 Rb2 108.96(15) 1_455 . ? 
B4 O2 Rb1 79.25(14) . . ? 
B1 O2 Rb1 104.18(18) 1_455 . ? 
Rb2 O2 Rb1 86.49(5) . . ? 
B4 O2 Rb1 106.33(13) . 1_455 ? 
B1 O2 Rb1 85.99(16) 1_455 1_455 ? 
Rb2 O2 Rb1 79.69(5) . 1_455 ? 
Rb1 O2 Rb1 164.99(7) . 1_455 ? 
B2 O3 B3 120.6(2) . 1_665 ? 
B2 O3 Li2 79.2(2) . 6_665 ? 
B3 O3 Li2 160.0(2) 1_665 6_665 ? 
B2 O3 Rb1 89.77(16) . . ? 
B3 O3 Rb1 97.14(15) 1_665 . ? 
Li2 O3 Rb1 85.05(14) 6_665 . ? 
B2 O3 Rb2 147.52(17) . 1_655 ? 
B3 O3 Rb2 91.87(15) 1_665 1_655 ? 
Li2 O3 Rb2 68.34(14) 6_665 1_655 ? 
Rb1 O3 Rb2 86.98(5) . 1_655 ? 
B3 O4 B1 122.8(2) 4_565 4 ? 
B3 O4 Rb1 120.40(16) 4_565 . ? 
B1 O4 Rb1 115.71(15) 4 . ? 
B3 O4 Rb1 79.11(18) 4_565 4_565 ? 
B1 O4 Rb1 105.93(17) 4 4_565 ? 
Rb1 O4 Rb1 95.95(6) . 4_565 ? 
B2 O5 Li2 90.9(2) . 6_665 ? 
B2 O5 Li2 91.3(2) . 1_565 ? 
Li2 O5 Li2 174.74(16) 6_665 1_565 ? 
B2 O5 Rb1 130.73(18) . 6_665 ? 
Li2 O5 Rb1 81.50(15) 6_665 6_665 ? 
Li2 O5 Rb1 93.46(16) 1_565 6_665 ? 
B2 O5 Rb2 133.96(17) . . ? 
Li2 O5 Rb2 106.07(17) 6_665 . ? 
Li2 O5 Rb2 75.69(17) 1_565 . ? 
Rb1 O5 Rb2 94.50(5) 6_665 . ? 
B2 O6 B1 123.8(2) 1_545 . ? 
B2 O6 Li1 111.4(2) 1_545 1_545 ? 
B1 O6 Li1 90.5(2) . 1_545 ? 
B2 O6 Li2 79.60(19) 1_545 . ? 
B1 O6 Li2 156.5(2) . . ? 
Li1 O6 Li2 77.60(19) 1_545 . ? 
B2 O6 Rb1 146.50(16) 1_545 . ? 
B1 O6 Rb1 89.36(15) . . ? 
Li1 O6 Rb1 68.63(15) 1_545 . ? 
Li2 O6 Rb1 67.53(13) . . ? 
B2 O6 Rb2 92.99(15) 1_545 1_655 ? 
B1 O6 Rb2 96.04(15) . 1_655 ? 
Li1 O6 Rb2 145.33(16) 1_545 1_655 ? 
Li2 O6 Rb2 83.33(14) . 1_655 ? 
Rb1 O6 Rb2 77.41(4) . 1_655 ? 
B1 O7 B1 119.6(3) 4 . ? 
B1 O7 Li1 93.96(19) 4 4_455 ? 
B1 O7 Li1 134.0(2) . 4_455 ? 
B1 O7 Li1 134.0(2) 4 1_545 ? 
B1 O7 Li1 93.95(19) . 1_545 ? 
Li1 O7 Li1 81.3(3) 4_455 1_545 ? 
B1 O7 Rb1 84.82(13) 4 4 ? 
B1 O7 Rb1 85.41(13) . 4 ? 
Li1 O7 Rb1 65.94(14) 4_455 4 ? 
Li1 O7 Rb1 131.65(15) 1_545 4 ? 
B1 O7 Rb1 85.41(13) 4 . ? 
B1 O7 Rb1 84.82(13) . . ? 
Li1 O7 Rb1 131.65(15) 4_455 . ? 
Li1 O7 Rb1 65.94(14) 1_545 . ? 
Rb1 O7 Rb1 160.51(8) 4 . ? 
B4 O8 Li1 132.56(17) . 4_465 ? 
B4 O8 Li1 132.56(17) . . ? 
Li1 O8 Li1 94.9(3) 4_465 . ? 
B4 O8 Rb1 88.4(3 . 4_465 ? 
Li1 O8 Rb1 92.45(16) 4_465 4_465 ? 
Li1 O8 Rb1 89.70(16) . 4_465 ? 
B4 O8 Rb1 88.4(3) . . ? 
Li1 O8 Rb1 89.70(16) 4_465 . ? 
Li1 O8 Rb1 92.45(16) . . ? 
Rb1 O8 Rb1 176.82(11) 4_465 . ? 
O2 B1 O7 111.6(2) 1_655 . ? 
O2 B1 O4 108.5(3) 1_655 4 ? 
O7 B1 O4 111.1(2) . 4 ? 
O2 B1 O6 109.7(2) 1_655 . ? 
O7 B1 O6 105.6(2) . . ? 
O4 B1 O6 110.4(2) 4 . ? 
O2 B1 Li1 130.8(2) 1_655 1_545 ? 
O7 B1 Li1 51.75(17) . 1_545 ? 
O4 B1 Li1 120.7(2) 4 1_545 ? 
O6 B1 Li1 54.18(17) . 1_545 ? 
O2 B1 Rb1 108.17(17) 1_655 4 ? 
O7 B1 Rb1 71.63(11) . 4 ? 
O4 B1 Rb1 43.36(11) 4 4 ? 
O6 B1 Rb1 139.86(19) . 4 ? 
Li1 B1 Rb1 107.39(14) 1_545 4 ? 
O5 B2 O6 121.0(3) . 1_565 ? 
O5 B2 O3 120.1(3) . . ? 
O6 B2 O3 118.9(3) 1_565 . ? 
O5 B2 Li2 55.01(19) . 6_665 ? 
O6 B2 Li2 175.8(3) 1_565 6_665 ? 
O3 B2 Li2 65.12(18) . 6_665 ? 
O5 B2 Li2 55.25(18) . 1_565 ? 
O6 B2 Li2 66.04(18) 1_565 1_565 ? 
O3 B2 Li2 173.6(2) . 1_565 ? 
Li2 B2 Li2 110.11(14) 6_665 1_565 ? 
O1 B3 O4 124.3(3) . 4_455 ? 
O1 B3 O3 120.8(3) . 1_445 ? 
O4 B3 O3 114.9(3) 4_455 1_445 ? 
O1 B3 Rb2 60.48(15) . 1_545 ? 
O4 B3 Rb2 158.2(2) 4_455 1_545 ? 
O3 B3 Rb2 64.31(14) 1_445 1_545 ? 
O1 B3 Rb1 120.6(2) . 1_445 ? 
O4 B3 Rb1 85.90(18) 4_455 1_445 ? 
O3 B3 Rb1 59.53(14) 1_445 1_445 ? 
Rb2 B3 Rb1 75.05(7) 1_545 1_445 ? 
O1 B3 Rb1 93.40(16) . 4_455 ? 
O4 B3 Rb1 41.03(12) 4_455 4_455 ? 
O3 B3 Rb1 134.84(18) 1_445 4_455 ? 
Rb2 B3 Rb1 122.44(8) 1_545 4_455 ? 
Rb1 B3 Rb1 78.41(6) 1_445 4_455 ? 
O8 B4 O2 120.8(2) . 4_465 ? 
O8 B4 O2 120.8(2) . . ? 
O2 B4 O2 118.5(4) 4_465 . ? 
O8 B4 Rb1 68.90(8) . 4_465 ? 
O2 B4 Rb1 77.45(11) 4_465 4_465 ? 
O2 B4 Rb1 125.84(10) . 4_465 ? 
O8 Li1 O1 118.1(3) . 1_565 ? 
O8 Li1 O7 91.9(2) . 1_565 ? 
O1 Li1 O7 144.5(3) 1_565 1_565 ? 
O8 Li1 O6 135.6(3) . 1_565 ? 
O1 Li1 O6 96.8(2) 1_565 1_565 ? 
O7 Li1 O6 69.43(17) 1_565 1_565 ? 
O8 Li1 B1 114.7(2) . 1_565 ? 
O1 Li1 B1 126.7(2) 1_565 1_565 ? 
O7 Li1 B1 34.29(11) 1_565 1_565 ? 
O6 Li1 B1 35.32(11) 1_565 1_565 ? 
O8 Li1 Li1 42.56(17) . 4_465 ? 
O1 Li1 Li1 155.4(3) 1_565 4_465 ? 
O7 Li1 Li1 49.34(14) 1_565 4_465 ? 
O6 Li1 Li1 107.7(2) 1_565 4_465 ? 
B1 Li1 Li1 76.00(15) 1_565 4_465 ? 
O8 Li1 Li2 144.9(3) . 1_565 ? 
O1 Li1 Li2 43.94(16) 1_565 1_565 ? 
O7 Li1 Li2 118.3(2) 1_565 1_565 ? 
O6 Li1 Li2 53.64(16) 1_565 1_565 ? 
B1 Li1 Li2 87.28(19) 1_565 1_565 ? 
Li1 Li1 Li2 160.5(3) 4_465 1_565 ? 
O8 Li1 Rb1 142.9(2) . 1_565 ? 
O1 Li1 Rb1 64.96(15) 1_565 1_565 ? 
O7 Li1 Rb1 79.74(16) 1_565 1_565 ? 
O6 Li1 Rb1 75.04(15) 1_565 1_565 ? 
B1 Li1 Rb1 77.34(15) 1_565 1_565 ? 
Li1 Li1 Rb1 118.98(18) 4_465 1_565 ? 
Li2 Li1 Rb1 65.61(14) 1_565 1_565 ? 
O8 Li1 Rb1 61.12(13) . 4_465 ? 
O1 Li1 Rb1 86.41(17) 1_565 4_465 ? 
O7 Li1 Rb1 93.05(16) 1_565 4_465 ? 
O6 Li1 Rb1 153.9(2) 1_565 4_465 ? 
B1 Li1 Rb1 125.96(17) 1_565 4_465 ? 
Li1 Li1 Rb1 70.70(19) 4_465 4_465 ? 
Li2 Li1 Rb1 128.39(19) 1_565 4_465 ? 
Rb1 Li1 Rb1 83.07(11) 1_565 4_465 ? 
O8 Li1 Rb2 94.38(19) . . ? 
O1 Li1 Rb2 47.77(13) 1_565 . ? 
O7 Li1 Rb2 155.2(2) 1_565 . ? 
O6 Li1 Rb2 89.60(15) 1_565 . ? 
B1 Li1 Rb2 122.92(16) 1_565 . ? 
Li1 Li1 Rb2 132.24(16) 4_465 . ? 
Li2 Li1 Rb2 50.71(13) 1_565 . ? 
Rb1 Li1 Rb2 108.32(12) 1_565 . ? 
Rb1 Li1 Rb2 110.98(12) 4_465 . ? 
O1 Li2 O5 118.2(3) . 6_655 ? 
O1 Li2 O5 117.9(3) . 1_545 ? 
O5 Li2 O5 123.2(3) 6_655 1_545 ? 
O1 Li2 O3 104.1(2) . 6_655 ? 
O5 Li2 O3 69.84(17) 6_655 6_655 ? 
O5 Li2 O3 104.1(2) 1_545 6_655 ? 
O1 Li2 O6 91.4(2) . . ? 
O5 Li2 O6 103.0(2) 6_655 . ? 
O5 Li2 O6 67.67(17) 1_545 . ? 
O3 Li2 O6 164.5(3) 6_655 . ? 
O1 Li2 B2 116.2(3) . 6_655 ? 
O5 Li2 B2 34.15(12) 6_655 6_655 ? 
O5 Li2 B2 119.0(2) 1_545 6_655 ? 
O3 Li2 B2 35.70(11) 6_655 6_655 ? 
O6 Li2 B2 135.7(3) . 6_655 ? 
O1 Li2 B2 109.3(2) . 1_545 ? 
O5 Li2 B2 115.9(3) 6_655 1_545 ? 
O5 Li2 B2 33.42(13) 1_545 1_545 ? 
O3 Li2 B2 135.5(2) 6_655 1_545 ? 
O6 Li2 B2 34.36(11) . 1_545 ? 
B2 Li2 B2 134.1(2) 6_655 1_545 ? 
O1 Li2 Li1 43.35(15) . 1_545 ? 
O5 Li2 Li1 126.8(2) 6_655 1_545 ? 
O5 Li2 Li1 90.1(2) 1_545 1_545 ? 
O3 Li2 Li1 146.5(3) 6_655 1_545 ? 
O6 Li2 Li1 48.77(15) . 1_545 ? 
B2 Li2 Li1 150.6(2) 6_655 1_545 ? 
B2 Li2 Li1 68.54(18) 1_545 1_545 ? 
O1 Li2 Rb2 71.97(17) . 1_545 ? 
O5 Li2 Rb2 141.3(2) 6_655 1_545 ? 
O5 Li2 Rb2 66.70(15) 1_545 1_545 ? 
O3 Li2 Rb2 71.45(14) 6_655 1_545 ? 
O6 Li2 Rb2 114.44(19) . 1_545 ? 
B2 Li2 Rb2 107.14(19) 6_655 1_545 ? 
B2 Li2 Rb2 91.69(17) 1_545 1_545 ? 
Li1 Li2 Rb2 87.35(17) 1_545 1_545 ? 
O1 Li2 Rb1 150.3(2) . 6_655 ? 
O5 Li2 Rb1 80.38(16) 6_655 6_655 ? 
O5 Li2 Rb1 53.82(12) 1_545 6_655 ? 
O3 Li2 Rb1 58.43(12) 6_655 6_655 ? 
O6 Li2 Rb1 107.48(18) . 6_655 ? 
B2 Li2 Rb1 65.23(13) 6_655 6_655 ? 
B2 Li2 Rb1 78.38(15) 1_545 6_655 ? 
Li1 Li2 Rb1 143.9(2) 1_545 6_655 ? 
Rb2 Li2 Rb1 79.35(10) 1_545 6_655 ? 
O1 Li2 Rb2 135.6(2) . 1_655 ? 
O5 Li2 Rb2 46.03(13) 6_655 1_655 ? 
O5 Li2 Rb2 86.49(17) 1_545 1_655 ? 
O3 Li2 Rb2 104.70(17) 6_655 1_655 ? 
O6 Li2 Rb2 62.70(13) . 1_655 ? 
B2 Li2 Rb2 73.68(15) 6_655 1_655 ? 
B2 Li2 Rb2 70.06(14) 1_545 1_655 ? 
Li1 Li2 Rb2 106.35(18) 1_545 1_655 ? 
Rb2 Li2 Rb2 150.16(15) 1_545 1_655 ? 
Rb1 Li2 Rb2 74.06(9) 6_655 1_655 ? 
  
_diffrn_measured_fraction_theta_max    1.000 
_diffrn_reflns_theta_full              27.46 
_diffrn_measured_fraction_theta_full   1.000 
_refine_diff_density_max    0.334 
_refine_diff_density_min   -0.524 
_refine_diff_density_rms    0.097 
