#------------------------------------------------------------------------------
#$Date: 2019-11-03 13:39:07 +0200 (Sun, 03 Nov 2019) $
#$Revision: 221545 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/84/4128441.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4128441
loop_
_publ_author_name
'Zhang, Min'
'An, Donghai'
'Hu, Cong'
'Chen, Xinglong'
'Yang, Zhihua'
'Pan, Shilie'
_publ_section_title
;
 Rational Design via Synergistic Combination Leads to an Outstanding
 Deep-Ultraviolet Birefringent
 Li₂Na₂B₂O₅ Material with an
 Unvalued B₂O₅ Functional Gene.
;
_journal_issue                   7
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3258
_journal_page_last               3264
_journal_paper_doi               10.1021/jacs.8b13402
_journal_volume                  141
_journal_year                    2019
_chemical_formula_sum            'B2 Li2 Na2 O5'
_chemical_formula_weight         161.48
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'C m c m'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   3.313(2)
_cell_length_b                   9.985(6)
_cell_length_c                   13.400(8)
_cell_measurement_reflns_used    1361
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      3.04
_cell_volume                     443.3(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0252
_diffrn_reflns_av_sigmaI/netI    0.0218
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -4
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            1361
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    0.372
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6652
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   face-indexed
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.420
_exptl_crystal_density_meas      2.420
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             312
_exptl_crystal_size_max          0.147
_exptl_crystal_size_mid          0.141
_exptl_crystal_size_min          0.089
_refine_diff_density_max         0.308
_refine_diff_density_min         -0.373
_refine_diff_density_rms         0.095
_refine_ls_extinction_coef       0.017(5)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.174
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     37
_refine_ls_number_reflns         313
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.174
_refine_ls_R_factor_all          0.0358
_refine_ls_R_factor_gt           0.0304
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0365P)²+0.7821P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0824
_refine_ls_wR_factor_ref         0.0853
_reflns_number_gt                271
_reflns_number_total             313
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja8b13402_si_002.cif
_cod_data_source_block           555
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Orthorhombic' was changed
to 'orthorhombic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        443.2(5)
_cod_original_sg_symbol_H-M      Cmcm
_cod_database_code               4128441
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'
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
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
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'
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
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) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
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
