#------------------------------------------------------------------------------
#$Date: 2015-10-06 15:41:01 +0300 (Tue, 06 Oct 2015) $
#$Revision: 160508 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/40/4344053.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_4344053
loop_
_publ_author_name
'Durach, Dajana'
'Fahrnbauer, Felix'
'Oeckler, Oliver'
'Schnick, Wolfgang'
_publ_section_title
;
 La6Ba3[Si17N29O2]Cl-An Oxonitridosilicate Chloride with Exceptional
 Structural Motifs.
;
_journal_issue                   17
_journal_name_full               'Inorganic chemistry'
_journal_page_first              8727
_journal_page_last               8732
_journal_paper_doi               10.1021/acs.inorgchem.5b01368
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'Ba3 Cl La6 N29 O2 Si17'
_chemical_formula_weight         2196.75
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      hexagonal
_space_group_IT_number           176
_space_group_name_Hall           '-P 6c'
_space_group_name_H-M_alt        'P 63/m'
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.8117(14)
_cell_length_b                   9.8117(14)
_cell_length_c                   19.286(6)
_cell_measurement_temperature    298(2)
_cell_volume                     1607.9(6)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Heavy Duty (Huber)'
_diffrn_measurement_method       oscillation
_diffrn_radiation_wavelength     0.3351
_diffrn_reflns_av_R_equivalents  0.0304
_diffrn_reflns_av_unetI/netI     0.0151
_diffrn_reflns_laue_measured_fraction_full 0.981
_diffrn_reflns_laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            21886
_diffrn_reflns_point_group_measured_fraction_full 0.981
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        11.599
_diffrn_reflns_theta_max         14.703
_diffrn_reflns_theta_min         1.957
_diffrn_source                   synchrotron
_exptl_absorpt_coefficient_mu    1.611
_exptl_absorpt_correction_T_max  0.883
_exptl_absorpt_correction_T_min  0.605
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    4.537
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'barrel-shaped crystallite'
_exptl_crystal_F_000             1968
_exptl_crystal_size_max          0.040
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.755
_refine_diff_density_min         -1.051
_refine_diff_density_rms         0.135
_refine_ls_extinction_coef       0.0031(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.302
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     95
_refine_ls_number_reflns         1985
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.302
_refine_ls_R_factor_all          0.0171
_refine_ls_R_factor_gt           0.0169
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+4.6386P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0396
_refine_ls_wR_factor_ref         0.0397
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1971
_reflns_number_total             1985
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ic5b01368_si_002.cif
_cod_data_source_block           shelxl
_cod_depositor_comments          'Adding full bibliography for 4344053.cif.'
_cod_original_cell_volume        1607.9(7)
_cod_database_code               4344053
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.783
_shelx_estimated_absorpt_t_max   0.882
_shelxl_version_number           2014-3
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
La1 La 0.53306(2) 0.47894(2) 0.39098(2) 0.00793(5) Uani 1 1 d . . .
Ba2 Ba 0.16199(3) 0.29913(3) 0.2500 0.01178(6) Uani 1 2 d S T P
Si1 Si 0.75300(9) 0.54355(9) 0.2500 0.00492(13) Uani 1 2 d S T P
Si2 Si 0.6667 0.3333 0.50460(5) 0.00530(16) Uani 1 3 d S T P
Si3 Si 0.20747(6) 0.12253(6) 0.38315(3) 0.00472(10) Uani 1 1 d . . .
Si4 Si 0.67463(7) 0.81638(6) 0.46847(3) 0.00492(10) Uani 1 1 d . . .
N1 N 0.0000 0.0000 0.36301(16) 0.0058(5) Uani 1 3 d S T P
N2 N 0.7991(2) 0.7374(2) 0.45792(9) 0.0062(3) Uani 1 1 d . . .
N3 N 0.2345(2) 0.3081(2) 0.39609(9) 0.0067(3) Uani 1 1 d . . .
N4 N 0.5059(2) 0.3480(2) 0.52299(10) 0.0080(3) Uani 1 1 d . . .
N5 N 0.7942(2) 0.6655(2) 0.32130(9) 0.0087(3) Uani 1 1 d . . .
N6 N 0.5486(3) 0.4142(3) 0.2500 0.0080(4) Uani 1 2 d S T P
O7 O 0.6667 0.3333 0.41468(14) 0.0086(4) Uani 1 3 d S T P
Cl1 Cl 0.3333 0.6667 0.2718(3) 0.0542(16) Uani 0.5 3 d S T P
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
N N -0.0010 0.0010 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0000 0.0010 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0150 0.0150 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.0330 0.0340 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ba Ba -3.6460 0.5960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -2.4390 0.6430 '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
O7 La1 N4 125.46(7) . 7_666
O7 La1 N3 112.88(4) . .
N4 La1 N3 84.64(6) 7_666 .
O7 La1 N5 83.19(5) . .
N4 La1 N5 106.65(6) 7_666 .
N3 La1 N5 150.46(6) . .
O7 La1 N4 60.84(7) . .
N4 La1 N4 72.62(6) 7_666 .
N3 La1 N4 81.31(5) . .
N5 La1 N4 127.89(5) . .
O7 La1 N6 86.71(8) . .
N4 La1 N6 145.76(7) 7_666 .
N3 La1 N6 93.62(6) . .
N5 La1 N6 61.53(6) . .
N4 La1 N6 141.03(6) . .
O7 La1 N2 85.13(4) . .
N4 La1 N2 59.39(5) 7_666 .
N3 La1 N2 143.12(5) . .
N5 La1 N2 58.79(5) . .
N4 La1 N2 80.40(5) . .
N6 La1 N2 120.29(6) . .
O7 La1 Si2 31.82(7) . .
N4 La1 Si2 94.75(5) 7_666 .
N3 La1 Si2 105.67(4) . .
N5 La1 Si2 100.57(4) . .
N4 La1 Si2 31.56(4) . .
N6 La1 Si2 118.41(5) . .
N2 La1 Si2 72.29(4) . .
O7 La1 Si4 115.73(4) . .
N4 La1 Si4 31.38(4) 7_666 .
N3 La1 Si4 114.73(4) . .
N5 La1 Si4 75.88(4) . .
N4 La1 Si4 86.76(4) . .
N6 La1 Si4 129.17(5) . .
N2 La1 Si4 32.61(4) . .
Si2 La1 Si4 94.446(19) . .
O7 La1 Si1 77.03(6) . .
N4 La1 Si1 135.00(4) 7_666 .
N3 La1 Si1 125.41(4) . .
N5 La1 Si1 31.13(4) . .
N4 La1 Si1 137.13(4) . .
N6 La1 Si1 31.85(5) . .
N2 La1 Si1 89.00(4) . .
Si2 La1 Si1 105.69(2) . .
Si4 La1 Si1 106.01(2) . .
O7 La1 Si3 84.707(11) . .
N4 La1 Si3 110.07(4) 7_666 .
N3 La1 Si3 30.08(4) . .
N5 La1 Si3 141.58(4) . .
N4 La1 Si3 74.98(4) . .
N6 La1 Si3 81.50(5) . .
N2 La1 Si3 155.29(4) . .
Si2 La1 Si3 87.428(10) . .
Si4 La1 Si3 141.451(15) . .
Si1 La1 Si3 110.486(17) . .
O7 La1 Si3 82.389(11) . 3_665
N4 La1 Si3 83.81(4) 7_666 3_665
N3 La1 Si3 164.45(4) . 3_665
N5 La1 Si3 28.61(4) . 3_665
N4 La1 Si3 105.03(4) . 3_665
N6 La1 Si3 90.09(5) . 3_665
N2 La1 Si3 30.20(4) . 3_665
Si2 La1 Si3 85.659(10) . 3_665
Si4 La1 Si3 52.612(14) . 3_665
Si1 La1 Si3 58.996(16) . 3_665
Si3 La1 Si3 164.980(13) . 3_665
N5 Ba2 N5 57.20(7) 12_566 3_565
N5 Ba2 N3 131.68(5) 12_566 .
N5 Ba2 N3 74.55(5) 3_565 .
N5 Ba2 N3 74.55(5) 12_566 10_556
N5 Ba2 N3 131.68(5) 3_565 10_556
N3 Ba2 N3 153.18(7) . 10_556
N5 Ba2 Cl1 100.21(6) 12_566 10_556
N5 Ba2 Cl1 107.75(6) 3_565 10_556
N3 Ba2 Cl1 96.46(9) . 10_556
N3 Ba2 Cl1 81.57(9) 10_556 10_556
N5 Ba2 Cl1 107.75(6) 12_566 .
N5 Ba2 Cl1 100.21(6) 3_565 .
N3 Ba2 Cl1 81.57(9) . .
N3 Ba2 Cl1 96.46(9) 10_556 .
Cl1 Ba2 Cl1 15.31(18) 10_556 .
N5 Ba2 N5 109.01(7) 12_566 11_656
N5 Ba2 N5 137.25(5) 3_565 11_656
N3 Ba2 N5 104.24(5) . 11_656
N3 Ba2 N5 54.26(5) 10_556 11_656
Cl1 Ba2 N5 114.75(6) 10_556 11_656
Cl1 Ba2 N5 122.16(5) . 11_656
N5 Ba2 N5 137.25(5) 12_566 2_655
N5 Ba2 N5 109.01(7) 3_565 2_655
N3 Ba2 N5 54.26(5) . 2_655
N3 Ba2 N5 104.24(5) 10_556 2_655
Cl1 Ba2 N5 122.16(5) 10_556 2_655
Cl1 Ba2 N5 114.75(6) . 2_655
N5 Ba2 N5 50.52(7) 11_656 2_655
N5 Ba2 Si3 80.27(4) 12_566 10_556
N5 Ba2 Si3 125.96(4) 3_565 10_556
N3 Ba2 Si3 133.43(4) . 10_556
N3 Ba2 Si3 31.87(4) 10_556 10_556
Cl1 Ba2 Si3 111.56(8) 10_556 10_556
Cl1 Ba2 Si3 125.31(8) . 10_556
N5 Ba2 Si3 30.53(3) 11_656 10_556
N5 Ba2 Si3 79.21(4) 2_655 10_556
N5 Ba2 Si3 125.96(4) 12_566 .
N5 Ba2 Si3 80.27(4) 3_565 .
N3 Ba2 Si3 31.87(4) . .
N3 Ba2 Si3 133.43(4) 10_556 .
Cl1 Ba2 Si3 125.31(8) 10_556 .
Cl1 Ba2 Si3 111.56(8) . .
N5 Ba2 Si3 79.21(4) 11_656 .
N5 Ba2 Si3 30.53(3) 2_655 .
Si3 Ba2 Si3 104.35(3) 10_556 .
N5 Ba2 N1 56.56(4) 12_566 10_556
N5 Ba2 N1 94.11(4) 3_565 10_556
N3 Ba2 N1 131.38(5) . 10_556
N3 Ba2 N1 52.81(5) 10_556 10_556
Cl1 Ba2 N1 131.55(10) 10_556 10_556
Cl1 Ba2 N1 146.77(10) . 10_556
N5 Ba2 N1 53.84(3) 11_656 10_556
N5 Ba2 N1 88.00(4) 2_655 10_556
Si3 Ba2 N1 31.86(3) 10_556 10_556
Si3 Ba2 N1 100.27(4) . 10_556
N5 Ba2 N1 94.11(4) 12_566 .
N5 Ba2 N1 56.56(4) 3_565 .
N3 Ba2 N1 52.81(5) . .
N3 Ba2 N1 131.38(5) 10_556 .
Cl1 Ba2 N1 146.78(10) 10_556 .
Cl1 Ba2 N1 131.55(10) . .
N5 Ba2 N1 88.00(4) 11_656 .
N5 Ba2 N1 53.84(3) 2_655 .
Si3 Ba2 N1 100.28(4) 10_556 .
Si3 Ba2 N1 31.86(3) . .
N1 Ba2 N1 81.16(8) 10_556 .
N5 Si1 N5 105.04(13) . 10_556
N5 Si1 N6 111.65(8) . 3_665
N5 Si1 N6 111.65(8) 10_556 3_665
N5 Si1 N6 106.66(8) . .
N5 Si1 N6 106.66(8) 10_556 .
N6 Si1 N6 114.56(15) 3_665 .
N5 Si1 La1 133.21(7) . 10_556
N5 Si1 La1 52.30(6) 10_556 10_556
N6 Si1 La1 114.83(4) 3_665 10_556
N6 Si1 La1 57.69(3) . 10_556
N5 Si1 La1 52.30(6) . .
N5 Si1 La1 133.21(7) 10_556 .
N6 Si1 La1 114.83(4) 3_665 .
N6 Si1 La1 57.69(3) . .
La1 Si1 La1 109.51(3) 10_556 .
N5 Si1 Ba2 68.79(7) . 3_665
N5 Si1 Ba2 68.79(7) 10_556 3_665
N6 Si1 Ba2 73.82(9) 3_665 3_665
N6 Si1 Ba2 171.62(9) . 3_665
La1 Si1 Ba2 119.815(16) 10_556 3_665
La1 Si1 Ba2 119.815(16) . 3_665
N5 Si1 Ba2 57.11(7) . 2_665
N5 Si1 Ba2 57.11(7) 10_556 2_665
N6 Si1 Ba2 154.16(9) 3_665 2_665
N6 Si1 Ba2 91.28(9) . 2_665
La1 Si1 Ba2 78.153(15) 10_556 2_665
La1 Si1 Ba2 78.153(15) . 2_665
Ba2 Si1 Ba2 80.339(18) 3_665 2_665
N4 Si2 N4 115.72(5) 2_655 3_665
N4 Si2 N4 115.72(5) 2_655 .
N4 Si2 N4 115.72(5) 3_665 .
N4 Si2 O7 102.11(7) 2_655 .
N4 Si2 O7 102.11(7) 3_665 .
N4 Si2 O7 102.10(7) . .
N4 Si2 La1 60.18(7) 2_655 2_655
N4 Si2 La1 138.20(7) 3_665 2_655
N4 Si2 La1 100.29(7) . 2_655
O7 Si2 La1 47.284(16) . 2_655
N4 Si2 La1 138.20(7) 2_655 .
N4 Si2 La1 100.29(7) 3_665 .
N4 Si2 La1 60.18(7) . .
O7 Si2 La1 47.284(16) . .
La1 Si2 La1 79.03(2) 2_655 .
N4 Si2 La1 100.29(7) 2_655 3_665
N4 Si2 La1 60.18(7) 3_665 3_665
N4 Si2 La1 138.20(7) . 3_665
O7 Si2 La1 47.284(16) . 3_665
La1 Si2 La1 79.03(2) 2_655 3_665
La1 Si2 La1 79.03(3) . 3_665
N5 Si3 N3 109.93(9) 2_655 .
N5 Si3 N2 104.12(9) 2_655 2_655
N3 Si3 N2 109.36(9) . 2_655
N5 Si3 N1 115.59(11) 2_655 .
N3 Si3 N1 105.08(7) . .
N2 Si3 N1 112.74(10) 2_655 .
N5 Si3 Ba2 73.81(7) 2_655 .
N3 Si3 Ba2 62.65(6) . .
N2 Si3 Ba2 169.34(6) 2_655 .
N1 Si3 Ba2 77.09(7) . .
N5 Si3 La1 72.34(7) 2_655 .
N3 Si3 La1 47.88(6) . .
N2 Si3 La1 91.32(6) 2_655 .
N1 Si3 La1 150.14(4) . .
Ba2 Si3 La1 78.067(13) . .
N5 Si3 La1 48.15(6) 2_655 2_655
N3 Si3 La1 121.09(6) . 2_655
N2 Si3 La1 56.02(6) 2_655 2_655
N1 Si3 La1 133.76(3) . 2_655
Ba2 Si3 La1 120.632(18) . 2_655
La1 Si3 La1 74.056(12) . 2_655
N5 Si3 Ba2 51.75(7) 2_655 3
N3 Si3 Ba2 142.43(7) . 3
N2 Si3 Ba2 107.22(6) 2_655 3
N1 Si3 Ba2 67.46(7) . 3
Ba2 Si3 Ba2 79.95(2) . 3
La1 Si3 Ba2 123.613(17) . 3
La1 Si3 Ba2 74.045(12) 2_655 3
N4 Si4 N3 113.68(9) 7_666 2_665
N4 Si4 N2 102.52(9) 7_666 .
N3 Si4 N2 108.11(9) 2_665 .
N4 Si4 N2 114.25(9) 7_666 8_566
N3 Si4 N2 109.70(9) 2_665 8_566
N2 Si4 N2 108.04(10) . 8_566
N4 Si4 La1 50.74(6) 7_666 .
N3 Si4 La1 97.13(7) 2_665 .
N2 Si4 La1 62.19(6) . .
N2 Si4 La1 153.16(6) 8_566 .
Si3 N1 Si3 115.55(7) 3 .
Si3 N1 Si3 115.55(7) 3 2
Si3 N1 Si3 115.55(7) . 2
Si3 N1 Ba2 82.53(5) 3 2
Si3 N1 Ba2 150.75(13) . 2
Si3 N1 Ba2 71.04(5) 2 2
Si3 N1 Ba2 71.04(5) 3 3
Si3 N1 Ba2 82.53(5) . 3
Si3 N1 Ba2 150.75(13) 2 3
Ba2 N1 Ba2 82.25(6) 2 3
Si3 N1 Ba2 150.75(13) 3 .
Si3 N1 Ba2 71.04(5) . .
Si3 N1 Ba2 82.53(5) 2 .
Ba2 N1 Ba2 82.25(6) 2 .
Ba2 N1 Ba2 82.25(6) 3 .
Si3 N2 Si4 116.65(10) 3_665 .
Si3 N2 Si4 119.81(10) 3_665 9_656
Si4 N2 Si4 119.06(10) . 9_656
Si3 N2 La1 93.78(7) 3_665 .
Si4 N2 La1 85.20(7) . .
Si4 N2 La1 111.47(8) 9_656 .
Si4 N3 Si3 114.37(10) 3_565 .
Si4 N3 La1 117.21(9) 3_565 .
Si3 N3 La1 102.04(8) . .
Si4 N3 Ba2 131.17(9) 3_565 .
Si3 N3 Ba2 85.48(7) . .
La1 N3 Ba2 99.58(6) . .
Si2 N4 Si4 120.77(10) . 7_666
Si2 N4 La1 130.79(10) . 7_666
Si4 N4 La1 97.87(8) 7_666 7_666
Si2 N4 La1 88.26(8) . .
Si4 N4 La1 109.67(9) 7_666 .
La1 N4 La1 107.38(6) 7_666 .
Si3 N5 Si1 153.78(12) 3_665 .
Si3 N5 La1 103.24(8) 3_665 .
Si1 N5 La1 96.57(8) . .
Si3 N5 Ba2 100.48(8) 3_665 2_665
Si1 N5 Ba2 92.45(8) . 2_665
La1 N5 Ba2 100.63(6) . 2_665
Si3 N5 Ba2 75.66(7) 3_665 3_665
Si1 N5 Ba2 81.13(7) . 3_665
La1 N5 Ba2 166.82(7) . 3_665
Ba2 N5 Ba2 92.45(5) 2_665 3_665
Si1 N6 Si1 125.44(15) 2_655 .
Si1 N6 La1 101.82(5) 2_655 10_556
Si1 N6 La1 90.46(5) . 10_556
Si1 N6 La1 101.82(5) 2_655 .
Si1 N6 La1 90.46(5) . .
La1 N6 La1 150.18(10) 10_556 .
Si2 O7 La1 100.90(6) . 2_655
Si2 O7 La1 100.90(6) . 3_665
La1 O7 La1 116.51(4) 2_655 3_665
Si2 O7 La1 100.90(6) . .
La1 O7 La1 116.51(4) 2_655 .
La1 O7 La1 116.51(4) 3_665 .
Cl1 Cl1 Ba2 82.34(9) 10_556 .
Cl1 Cl1 Ba2 82.35(9) 10_556 3_565
Ba2 Cl1 Ba2 118.25(4) . 3_565
Cl1 Cl1 Ba2 82.34(9) 10_556 2_665
Ba2 Cl1 Ba2 118.25(4) . 2_665
Ba2 Cl1 Ba2 118.25(4) 3_565 2_665
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La1 O7 2.4168(6) .
La1 N4 2.5361(19) 7_666
La1 N3 2.5478(18) .
La1 N5 2.6516(19) .
La1 N4 2.804(2) .
La1 N6 2.8137(10) .
La1 N2 2.8796(18) .
La1 Si2 3.2301(9) .
La1 Si4 3.2444(7) .
La1 Si1 3.3292(8) .
La1 Si3 3.3594(7) .
La1 Si3 3.4650(8) 3_665
Ba2 N5 2.8725(19) 12_566
Ba2 N5 2.8725(19) 3_565
Ba2 N3 2.896(2) .
Ba2 N3 2.897(2) 10_556
Ba2 Cl1 3.1535(8) 10_556
Ba2 Cl1 3.1535(8) .
Ba2 N5 3.2224(19) 11_656
Ba2 N5 3.2224(19) 2_655
Ba2 Si3 3.2509(8) 10_556
Ba2 Si3 3.2509(8) .
Ba2 N1 3.351(2) 10_556
Ba2 N1 3.351(2) .
Si1 N5 1.7326(19) .
Si1 N5 1.7327(19) 10_556
Si1 N6 1.742(3) 3_665
Si1 N6 1.757(3) .
Si1 La1 3.3292(8) 10_556
Si1 Ba2 3.4152(9) 3_665
Si1 Ba2 3.4175(9) 2_665
Si2 N4 1.6914(18) 2_655
Si2 N4 1.6914(18) 3_665
Si2 N4 1.6914(18) .
Si2 O7 1.734(3) .
Si2 La1 3.2301(9) 2_655
Si2 La1 3.2301(9) 3_665
Si3 N5 1.7044(19) 2_655
Si3 N3 1.7217(18) .
Si3 N2 1.7467(18) 2_655
Si3 N1 1.8145(9) .
Si3 La1 3.4650(8) 2_655
Si3 Ba2 3.5968(8) 3
Si4 N4 1.7056(19) 7_666
Si4 N3 1.7203(19) 2_665
Si4 N2 1.7547(18) .
Si4 N2 1.7577(19) 8_566
N1 Si3 1.8145(9) 3
N1 Si3 1.8146(9) 2
N1 Ba2 3.350(2) 2
N1 Ba2 3.350(2) 3
N2 Si3 1.7467(18) 3_665
N2 Si4 1.7577(18) 9_656
N3 Si4 1.7203(19) 3_565
N4 Si4 1.7056(18) 7_666
N4 La1 2.5361(19) 7_666
N5 Si3 1.7045(19) 3_665
N5 Ba2 2.8725(19) 2_665
N5 Ba2 3.2224(19) 3_665
N6 Si1 1.743(3) 2_655
N6 La1 2.8137(10) 10_556
O7 La1 2.4168(6) 2_655
O7 La1 2.4168(6) 3_665
Cl1 Cl1 0.840(10) 10_556
Cl1 Ba2 3.1535(8) 3_565
Cl1 Ba2 3.1535(8) 2_665
