 
data_555 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'B2 Li2 Na2 O5' 
_chemical_formula_weight          161.48 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'Li'  'Li'  -0.0003   0.0001 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'B'  'B'   0.0013   0.0007 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0106   0.0060 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Na'  'Na'   0.0362   0.0249 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            Orthorhombic 
_symmetry_space_group_name_H-M    Cmcm 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, z+1/2' 
 '-x, y, -z+1/2' 
 'x, -y, -z' 
 'x+1/2, y+1/2, z' 
 '-x+1/2, -y+1/2, z+1/2' 
 '-x+1/2, y+1/2, -z+1/2' 
 'x+1/2, -y+1/2, -z' 
 '-x, -y, -z' 
 'x, y, -z-1/2' 
 'x, -y, z-1/2' 
 '-x, y, z' 
 '-x+1/2, -y+1/2, -z' 
 'x+1/2, y+1/2, -z-1/2' 
 'x+1/2, -y+1/2, z-1/2' 
 '-x+1/2, y+1/2, z' 
 
_cell_length_a                    3.313(2) 
_cell_length_b                    9.985(6) 
_cell_length_c                    13.400(8) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 90.00 
_cell_volume                      443.2(5) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     296(2) 
_cell_measurement_reflns_used     1361
_cell_measurement_theta_min       3.04 
_cell_measurement_theta_max       27.45 
 
_exptl_crystal_description        BLOCK 
_exptl_crystal_colour             colorless 
_exptl_crystal_size_max           0.147 
_exptl_crystal_size_mid           0.141 
_exptl_crystal_size_min           0.089
_exptl_crystal_density_meas       2.420 
_exptl_crystal_density_diffrn     2.420 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              312 
_exptl_absorpt_coefficient_mu     0.372 
_exptl_absorpt_correction_type    numerical 
_exptl_absorpt_correction_T_min   0.6652   
_exptl_absorpt_correction_T_max   0.7455 
_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             1361 
_diffrn_reflns_av_R_equivalents   0.0252 
_diffrn_reflns_av_sigmaI/netI     0.0218 
_diffrn_reflns_limit_h_min        -4 
_diffrn_reflns_limit_h_max        4 
_diffrn_reflns_limit_k_min        -12 
_diffrn_reflns_limit_k_max        8 
_diffrn_reflns_limit_l_min        -17 
_diffrn_reflns_limit_l_max        16 
_diffrn_reflns_theta_min          3.04 
_diffrn_reflns_theta_max          27.45 
_reflns_number_total              313 
_reflns_number_gt                 271 
_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     'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material   'SHELXL-97 (Sheldrick, 1997)' 
 
_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)+(0.0365P)²+0.7821P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    none 
_refine_ls_hydrogen_treatment     none 
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.017(5) 
_refine_ls_number_reflns          313 
_refine_ls_number_parameters      37 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0358 
_refine_ls_R_factor_gt            0.0304 
_refine_ls_wR_factor_ref          0.0853 
_refine_ls_wR_factor_gt           0.0824 
_refine_ls_goodness_of_fit_ref    1.174 
_refine_ls_restrained_S_all       1.174 
_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 
Na1 Na 1.0000 0.12428(14) 0.7500 0.0152(4) Uani 1 4 d S . . 
Na2 Na 1.0000 0.0000 0.5000 0.0177(4) Uani 1 4 d S . . 
Li1 Li 0.5000 0.2094(4) 0.5698(3) 0.0140(9) Uani 1 2 d S . . 
B1 B 1.0000 0.4101(3) 0.65239(19) 0.0097(6) Uani 1 2 d S . . 
O1 O 0.5000 0.04265(17) 0.63581(13) 0.0139(5) Uani 1 2 d S . . 
O2 O 1.0000 0.31689(17) 0.57744(12) 0.0121(4) Uani 1 2 d S . . 
O3 O 1.0000 0.3549(3) 0.7500 0.0207(7) Uani 1 4 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 
Na1 O3 2.302(3) . ? 
Na1 O1 2.3977(16) . ? 
Na1 O1 2.3977(16) 10_657 ? 
Na1 O1 2.3977(16) 10_557 ? 
Na1 O1 2.3977(16) 1_655 ? 
Na1 B1 3.005(3) 5_445 ? 
Na1 B1 3.005(3) 14_447 ? 
Na1 B1 3.005(3) 5_545 ? 
Na1 B1 3.005(3) 14_547 ? 
Na1 O2 3.008(2) 10_557 ? 
Na1 O2 3.008(2) . ? 
Na1 Li1 3.049(4) 10_657 ? 
Na2 O1 2.4973(16) 9_656 ? 
Na2 O1 2.4973(16) 1_655 ? 
Na2 O1 2.4973(16) 9_756 ? 
Na2 O1 2.4973(16) . ? 
Na2 O2 2.6763(16) 5_445 ? 
Na2 O2 2.6763(16) 13_756 ? 
Na2 O2 2.6763(16) 13_656 ? 
Na2 O2 2.6763(16) 5_545 ? 
Na2 B1 2.778(2) 13_656 ? 
Na2 B1 2.778(2) 5_545 ? 
Na2 B1 2.778(2) 13_756 ? 
Na2 B1 2.778(2) 5_445 ? 
Li1 O1 1.885(5) . ? 
Li1 O2 1.976(3) . ? 
Li1 O2 1.976(3) 1_455 ? 
Li1 O2 1.990(5) 13_656 ? 
Li1 Li1 2.627(7) 13_556 ? 
Li1 Li1 2.627(7) 13_656 ? 
Li1 B1 2.825(4) . ? 
Li1 B1 2.825(4) 1_455 ? 
Li1 Na2 2.827(4) 1_455 ? 
Li1 Na2 3.049(4) 5_455 ? 
B1 O1 1.342(3) 5 ? 
B1 O2 1.369(3) . ? 
B1 O3 1.419(3) . ? 
B1 Na2 2.778(2) 5_455 ? 
B1 Na2 2.778(2) 5 ? 
B1 Li1 2.825(4) 1_655 ? 
B1 Na1 3.005(3) 5 ? 
B1 Na1 3.005(3) 5_455 ? 
O1 B1 1.342(3) 5_445 ? 
O1 Na1 2.3977(16) 1_455 ? 
O1 Na2 2.4973(16) 1_455 ? 
O2 Li1 1.976(3) 1_655 ? 
O2 Li1 1.990(5) 13_656 ? 
O2 Na2 2.6763(16) 5 ? 
O2 Na2 2.6763(16) 5_455 ? 
O3 B1 1.419(3) 10_557 ? 
 
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 
O3 Na1 O1 109.87(5) . . ? 
O3 Na1 O1 109.87(5) . 10_657 ? 
O1 Na1 O1 140.25(10) . 10_657 ? 
O3 Na1 O1 109.87(5) . 10_557 ? 
O1 Na1 O1 79.31(8) . 10_557 ? 
O1 Na1 O1 87.39(7) 10_657 10_557 ? 
O3 Na1 O1 109.87(5) . 1_655 ? 
O1 Na1 O1 87.39(7) . 1_655 ? 
O1 Na1 O1 79.31(8) 10_657 1_655 ? 
O1 Na1 O1 140.25(10) 10_557 1_655 ? 
O3 Na1 B1 135.38(5) . 5_445 ? 
O1 Na1 B1 25.77(6) . 5_445 ? 
O1 Na1 B1 114.62(8) 10_657 5_445 ? 
O1 Na1 B1 69.82(7) 10_557 5_445 ? 
O1 Na1 B1 82.01(6) 1_655 5_445 ? 
O3 Na1 B1 135.38(5) . 14_447 ? 
O1 Na1 B1 69.82(7) . 14_447 ? 
O1 Na1 B1 82.01(6) 10_657 14_447 ? 
O1 Na1 B1 25.77(6) 10_557 14_447 ? 
O1 Na1 B1 114.62(8) 1_655 14_447 ? 
B1 Na1 B1 51.60(10) 5_445 14_447 ? 
O3 Na1 B1 135.38(5) . 5_545 ? 
O1 Na1 B1 82.01(6) . 5_545 ? 
O1 Na1 B1 69.82(7) 10_657 5_545 ? 
O1 Na1 B1 114.62(8) 10_557 5_545 ? 
O1 Na1 B1 25.77(6) 1_655 5_545 ? 
B1 Na1 B1 66.90(7) 5_445 5_545 ? 
B1 Na1 B1 89.23(10) 14_447 5_545 ? 
O3 Na1 B1 135.38(5) . 14_547 ? 
O1 Na1 B1 114.62(8) . 14_547 ? 
O1 Na1 B1 25.77(6) 10_657 14_547 ? 
O1 Na1 B1 82.01(6) 10_557 14_547 ? 
O1 Na1 B1 69.82(7) 1_655 14_547 ? 
B1 Na1 B1 89.23(10) 5_445 14_547 ? 
B1 Na1 B1 66.90(7) 14_447 14_547 ? 
B1 Na1 B1 51.60(10) 5_545 14_547 ? 
O3 Na1 O2 50.25(4) . 10_557 ? 
O1 Na1 O2 135.07(4) . 10_557 ? 
O1 Na1 O2 74.14(6) 10_657 10_557 ? 
O1 Na1 O2 74.14(6) 10_557 10_557 ? 
O1 Na1 O2 135.07(4) 1_655 10_557 ? 
B1 Na1 O2 142.17(4) 5_445 10_557 ? 
B1 Na1 O2 96.92(7) 14_447 10_557 ? 
B1 Na1 O2 142.17(4) 5_545 10_557 ? 
B1 Na1 O2 96.92(7) 14_547 10_557 ? 
O3 Na1 O2 50.25(4) . . ? 
O1 Na1 O2 74.14(6) . . ? 
O1 Na1 O2 135.07(4) 10_657 . ? 
O1 Na1 O2 135.07(4) 10_557 . ? 
O1 Na1 O2 74.14(6) 1_655 . ? 
B1 Na1 O2 96.92(7) 5_445 . ? 
B1 Na1 O2 142.17(4) 14_447 . ? 
B1 Na1 O2 96.92(7) 5_545 . ? 
B1 Na1 O2 142.17(4) 14_547 . ? 
O2 Na1 O2 100.50(9) 10_557 . ? 
O3 Na1 Li1 73.81(8) . 10_657 ? 
O1 Na1 Li1 167.27(7) . 10_657 ? 
O1 Na1 Li1 38.20(8) 10_657 10_657 ? 
O1 Na1 Li1 87.97(8) 10_557 10_657 ? 
O1 Na1 Li1 102.99(7) 1_655 10_657 ? 
B1 Na1 Li1 147.41(10) 5_445 10_657 ? 
B1 Na1 Li1 98.81(9) 14_447 10_657 ? 
B1 Na1 Li1 104.10(8) 5_545 10_657 ? 
B1 Na1 Li1 63.53(10) 14_547 10_657 ? 
O2 Na1 Li1 38.08(6) 10_557 10_657 ? 
O2 Na1 Li1 115.51(10) . 10_657 ? 
O1 Na2 O1 180.0 9_656 1_655 ? 
O1 Na2 O1 83.10(7) 9_656 9_756 ? 
O1 Na2 O1 96.90(7) 1_655 9_756 ? 
O1 Na2 O1 96.90(7) 9_656 . ? 
O1 Na2 O1 83.10(7) 1_655 . ? 
O1 Na2 O1 180.0 9_756 . ? 
O1 Na2 O2 75.85(6) 9_656 5_445 ? 
O1 Na2 O2 104.15(6) 1_655 5_445 ? 
O1 Na2 O2 125.20(6) 9_756 5_445 ? 
O1 Na2 O2 54.80(6) . 5_445 ? 
O1 Na2 O2 104.15(6) 9_656 13_756 ? 
O1 Na2 O2 75.85(6) 1_655 13_756 ? 
O1 Na2 O2 54.80(6) 9_756 13_756 ? 
O1 Na2 O2 125.20(6) . 13_756 ? 
O2 Na2 O2 180.0 5_445 13_756 ? 
O1 Na2 O2 54.80(6) 9_656 13_656 ? 
O1 Na2 O2 125.20(6) 1_655 13_656 ? 
O1 Na2 O2 104.15(6) 9_756 13_656 ? 
O1 Na2 O2 75.85(6) . 13_656 ? 
O2 Na2 O2 103.53(6) 5_445 13_656 ? 
O2 Na2 O2 76.47(6) 13_756 13_656 ? 
O1 Na2 O2 125.20(6) 9_656 5_545 ? 
O1 Na2 O2 54.80(6) 1_655 5_545 ? 
O1 Na2 O2 75.85(6) 9_756 5_545 ? 
O1 Na2 O2 104.15(6) . 5_545 ? 
O2 Na2 O2 76.47(6) 5_445 5_545 ? 
O2 Na2 O2 103.53(6) 13_756 5_545 ? 
O2 Na2 O2 180.00(6) 13_656 5_545 ? 
O1 Na2 B1 28.86(7) 9_656 13_656 ? 
O1 Na2 B1 151.14(7) 1_655 13_656 ? 
O1 Na2 B1 85.12(6) 9_756 13_656 ? 
O1 Na2 B1 94.88(6) . 13_656 ? 
O2 Na2 B1 97.86(6) 5_445 13_656 ? 
O2 Na2 B1 82.14(6) 13_756 13_656 ? 
O2 Na2 B1 28.99(7) 13_656 13_656 ? 
O2 Na2 B1 151.01(7) 5_545 13_656 ? 
O1 Na2 B1 151.14(7) 9_656 5_545 ? 
O1 Na2 B1 28.86(7) 1_655 5_545 ? 
O1 Na2 B1 94.88(6) 9_756 5_545 ? 
O1 Na2 B1 85.12(6) . 5_545 ? 
O2 Na2 B1 82.14(6) 5_445 5_545 ? 
O2 Na2 B1 97.86(6) 13_756 5_545 ? 
O2 Na2 B1 151.01(7) 13_656 5_545 ? 
O2 Na2 B1 28.99(7) 5_545 5_545 ? 
B1 Na2 B1 180.00(7) 13_656 5_545 ? 
O1 Na2 B1 85.12(6) 9_656 13_756 ? 
O1 Na2 B1 94.88(6) 1_655 13_756 ? 
O1 Na2 B1 28.86(7) 9_756 13_756 ? 
O1 Na2 B1 151.14(7) . 13_756 ? 
O2 Na2 B1 151.01(7) 5_445 13_756 ? 
O2 Na2 B1 28.99(7) 13_756 13_756 ? 
O2 Na2 B1 82.14(6) 13_656 13_756 ? 
O2 Na2 B1 97.86(6) 5_545 13_756 ? 
B1 Na2 B1 73.19(8) 13_656 13_756 ? 
B1 Na2 B1 106.81(8) 5_545 13_756 ? 
O1 Na2 B1 94.88(6) 9_656 5_445 ? 
O1 Na2 B1 85.12(6) 1_655 5_445 ? 
O1 Na2 B1 151.14(7) 9_756 5_445 ? 
O1 Na2 B1 28.86(7) . 5_445 ? 
O2 Na2 B1 28.99(7) 5_445 5_445 ? 
O2 Na2 B1 151.01(7) 13_756 5_445 ? 
O2 Na2 B1 97.86(6) 13_656 5_445 ? 
O2 Na2 B1 82.14(6) 5_545 5_445 ? 
B1 Na2 B1 106.81(8) 13_656 5_445 ? 
B1 Na2 B1 73.19(8) 5_545 5_445 ? 
B1 Na2 B1 180.0 13_756 5_445 ? 
O1 Li1 O2 117.08(14) . . ? 
O1 Li1 O2 117.08(14) . 1_455 ? 
O2 Li1 O2 113.9(2) . 1_455 ? 
O1 Li1 O2 110.4(2) . 13_656 ? 
O2 Li1 O2 97.06(15) . 13_656 ? 
O2 Li1 O2 97.06(15) 1_455 13_656 ? 
O1 Li1 Li1 127.3(2) . 13_556 ? 
O2 Li1 Li1 113.4(3) . 13_556 ? 
O2 Li1 Li1 48.76(9) 1_455 13_556 ? 
O2 Li1 Li1 48.30(14) 13_656 13_556 ? 
O1 Li1 Li1 127.3(2) . 13_656 ? 
O2 Li1 Li1 48.76(9) . 13_656 ? 
O2 Li1 Li1 113.4(3) 1_455 13_656 ? 
O2 Li1 Li1 48.30(14) 13_656 13_656 ? 
Li1 Li1 Li1 78.2(2) 13_556 13_656 ? 
O1 Li1 B1 116.26(16) . . ? 
O2 Li1 B1 26.27(8) . . ? 
O2 Li1 B1 94.93(17) 1_455 . ? 
O2 Li1 B1 118.81(15) 13_656 . ? 
Li1 Li1 B1 115.5(2) 13_556 . ? 
Li1 Li1 B1 71.97(14) 13_656 . ? 
O1 Li1 B1 116.26(16) . 1_455 ? 
O2 Li1 B1 94.93(17) . 1_455 ? 
O2 Li1 B1 26.27(8) 1_455 1_455 ? 
O2 Li1 B1 118.81(15) 13_656 1_455 ? 
Li1 Li1 B1 71.97(14) 13_556 1_455 ? 
Li1 Li1 B1 115.5(2) 13_656 1_455 ? 
B1 Li1 B1 71.78(13) . 1_455 ? 
O1 Li1 Na2 60.13(11) . 1_455 ? 
O2 Li1 Na2 155.50(17) . 1_455 ? 
O2 Li1 Na2 85.86(8) 1_455 1_455 ? 
O2 Li1 Na2 64.81(11) 13_656 1_455 ? 
Li1 Li1 Na2 67.86(14) 13_556 1_455 ? 
Li1 Li1 Na2 111.2(2) 13_656 1_455 ? 
B1 Li1 Na2 176.10(18) . 1_455 ? 
B1 Li1 Na2 108.10(5) 1_455 1_455 ? 
O1 Li1 Na2 60.13(11) . . ? 
O2 Li1 Na2 85.86(8) . . ? 
O2 Li1 Na2 155.50(17) 1_455 . ? 
O2 Li1 Na2 64.81(11) 13_656 . ? 
Li1 Li1 Na2 111.2(2) 13_556 . ? 
Li1 Li1 Na2 67.86(14) 13_656 . ? 
B1 Li1 Na2 108.10(5) . . ? 
B1 Li1 Na2 176.10(18) 1_455 . ? 
Na2 Li1 Na2 71.74(11) 1_455 . ? 
O1 Li1 Na2 169.9(2) . 5_455 ? 
O2 Li1 Na2 59.94(12) . 5_455 ? 
O2 Li1 Na2 59.94(12) 1_455 5_455 ? 
O2 Li1 Na2 79.72(14) 13_656 5_455 ? 
Li1 Li1 Na2 59.19(16) 13_556 5_455 ? 
Li1 Li1 Na2 59.19(16) 13_656 5_455 ? 
B1 Li1 Na2 56.31(10) . 5_455 ? 
B1 Li1 Na2 56.31(10) 1_455 5_455 ? 
Na2 Li1 Na2 127.05(12) 1_455 5_455 ? 
Na2 Li1 Na2 127.05(12) . 5_455 ? 
O1 Li1 Na1 51.85(10) . . ? 
O2 Li1 Na1 69.82(10) . . ? 
O2 Li1 Na1 124.45(18) 1_455 . ? 
O2 Li1 Na1 138.44(12) 13_656 . ? 
Li1 Li1 Na1 173.00(19) 13_556 . ? 
Li1 Li1 Na1 107.90(9) 13_656 . ? 
B1 Li1 Na1 64.47(9) . . ? 
B1 Li1 Na1 101.88(14) 1_455 . ? 
Na2 Li1 Na1 111.97(14) 1_455 . ? 
Na2 Li1 Na1 74.78(8) . . ? 
Na2 Li1 Na1 120.55(12) 5_455 . ? 
O1 B1 O2 123.3(2) 5 . ? 
O1 B1 O3 122.4(2) 5 . ? 
O2 B1 O3 114.3(2) . . ? 
O1 B1 Na2 63.87(10) 5 5_455 ? 
O2 B1 Na2 71.36(11) . 5_455 ? 
O3 B1 Na2 143.40(4) . 5_455 ? 
O1 B1 Na2 63.87(10) 5 5 ? 
O2 B1 Na2 71.36(11) . 5 ? 
O3 B1 Na2 143.40(4) . 5 ? 
Na2 B1 Na2 73.19(8) 5_455 5 ? 
O1 B1 Li1 129.38(14) 5 . ? 
O2 B1 Li1 39.71(9) . . ? 
O3 B1 Li1 94.91(17) . . ? 
Na2 B1 Li1 65.91(9) 5_455 . ? 
Na2 B1 Li1 106.91(12) 5 . ? 
O1 B1 Li1 129.38(14) 5 1_655 ? 
O2 B1 Li1 39.71(9) . 1_655 ? 
O3 B1 Li1 94.91(16) . 1_655 ? 
Na2 B1 Li1 106.91(12) 5_455 1_655 ? 
Na2 B1 Li1 65.91(9) 5 1_655 ? 
Li1 B1 Li1 71.78(13) . 1_655 ? 
O1 B1 Na1 50.95(9) 5 5 ? 
O2 B1 Na1 143.42(7) . 5 ? 
O3 B1 Na1 82.84(13) . 5 ? 
Na2 B1 Na1 114.74(10) 5_455 5 ? 
Na2 B1 Na1 76.18(6) 5 5 ? 
Li1 B1 Na1 176.79(10) . 5 ? 
Li1 B1 Na1 110.62(7) 1_655 5 ? 
O1 B1 Na1 50.95(9) 5 5_455 ? 
O2 B1 Na1 143.42(7) . 5_455 ? 
O3 B1 Na1 82.84(13) . 5_455 ? 
Na2 B1 Na1 76.18(6) 5_455 5_455 ? 
Na2 B1 Na1 114.74(10) 5 5_455 ? 
Li1 B1 Na1 110.62(7) . 5_455 ? 
Li1 B1 Na1 176.79(10) 1_655 5_455 ? 
Na1 B1 Na1 66.90(7) 5 5_455 ? 
B1 O1 Li1 161.5(2) 5_445 . ? 
B1 O1 Na1 103.27(12) 5_445 . ? 
Li1 O1 Na1 89.95(11) . . ? 
B1 O1 Na1 103.27(12) 5_445 1_455 ? 
Li1 O1 Na1 89.95(11) . 1_455 ? 
Na1 O1 Na1 87.39(7) . 1_455 ? 
B1 O1 Na2 87.27(11) 5_445 1_455 ? 
Li1 O1 Na2 78.97(11) . 1_455 ? 
Na1 O1 Na2 168.86(8) . 1_455 ? 
Na1 O1 Na2 93.72(5) 1_455 1_455 ? 
B1 O1 Na2 87.27(11) 5_445 . ? 
Li1 O1 Na2 78.97(11) . . ? 
Na1 O1 Na2 93.72(5) . . ? 
Na1 O1 Na2 168.86(8) 1_455 . ? 
Na2 O1 Na2 83.10(7) 1_455 . ? 
B1 O2 Li1 114.02(14) . . ? 
B1 O2 Li1 114.02(14) . 1_655 ? 
Li1 O2 Li1 113.9(2) . 1_655 ? 
B1 O2 Li1 144.8(2) . 13_656 ? 
Li1 O2 Li1 82.94(15) . 13_656 ? 
Li1 O2 Li1 82.94(15) 1_655 13_656 ? 
B1 O2 Na2 79.64(11) . 5 ? 
Li1 O2 Na2 150.41(14) . 5 ? 
Li1 O2 Na2 80.34(12) 1_655 5 ? 
Li1 O2 Na2 72.89(10) 13_656 5 ? 
B1 O2 Na2 79.64(11) . 5_455 ? 
Li1 O2 Na2 80.34(12) . 5_455 ? 
Li1 O2 Na2 150.41(14) 1_655 5_455 ? 
Li1 O2 Na2 72.89(10) 13_656 5_455 ? 
Na2 O2 Na2 76.47(6) 5 5_455 ? 
B1 O2 Na1 82.56(14) . . ? 
Li1 O2 Na1 72.09(13) . . ? 
Li1 O2 Na1 72.09(13) 1_655 . ? 
Li1 O2 Na1 132.67(15) 13_656 . ? 
Na2 O2 Na1 137.30(4) 5 . ? 
Na2 O2 Na1 137.30(4) 5_455 . ? 
B1 O3 B1 134.3(3) 10_557 . ? 
B1 O3 Na1 112.85(15) 10_557 . ? 
B1 O3 Na1 112.85(15) . . ? 
 
_diffrn_measured_fraction_theta_max    0.997 
_diffrn_reflns_theta_full              27.45 
_diffrn_measured_fraction_theta_full   0.997 
_refine_diff_density_max    0.308 
_refine_diff_density_min   -0.373 
_refine_diff_density_rms    0.095 
