LMucko/crystallography-open-database huggingface dataset:
Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping
Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V.; Acta Crystallographica Section B 68 (2012) 240–249; doi:10.1107/S0108768112008038

data_2310051
_publ_section_title
;
 Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~
 with low Cu-doping
;
_journal_coeditor_code           pz5097
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              240
_journal_page_last               249
_journal_paper_doi               10.1107/S0108768112008038
_journal_volume                  68
_journal_year                    2012
_chemical_formula_sum            'Ca Mn7 O12'
_chemical_formula_weight         616.6
_space_group_ssg_name            R-3(00\g)0
_symmetry_cell_setting           trigonal
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   10.443650(11)
_cell_length_b                   10.443650(11)
_cell_length_c                   6.343562(8)
_cell_measurement_temperature    70
_cell_modulation_dimension       1
_cell_volume                     599.1954(12)
_computing_cell_refinement       'KM4B8 (Kuma Diffraction Ltd., 1996)'
_computing_data_collection       'KM4B8 (Kuma Diffraction Ltd., 1996)'
_computing_data_reduction
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_computing_molecular_graphics    'Diamond 3 (Brandenburg, 1999)'
_computing_publication_material
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_computing_structure_refinement
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_computing_structure_solution    'SIR97 (Altomare et al., 1997)'
_diffrn_ambient_temperature      70
_diffrn_radiation_type           X-ray
_diffrn_radiation_wavelength     0.39996
_exptl_absorpt_coefficient_mu    2.155
_exptl_crystal_density_diffrn    5.1249
_exptl_crystal_F_000             873
_pd_meas_2theta_range_inc        0.001
_pd_meas_2theta_range_max        47.939
_pd_meas_2theta_range_min        0.400
_pd_meas_number_of_points        47540
_pd_proc_2theta_range_inc        0.001
_pd_proc_2theta_range_max        37.199
_pd_proc_2theta_range_min        2.001
_pd_proc_ls_background_function
'Manual background combined with 10 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.1637
_pd_proc_ls_prof_wR_expected     0.1265
_pd_proc_ls_prof_wR_factor       0.2392
_refine_ls_number_constraints    0
_refine_ls_number_parameters     56
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          2.2628
_refine_ls_shift/su_mean         0.1760
_refine_ls_weighting_scheme      sigma
_cod_duplicate_entry             2310032
_cod_data_source_file            pz5097.cif
_cod_data_source_block           II
_cod_original_formula_sum        'Ca1 Mn7 O12'
_cod_database_code               2310051
Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping
Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V.; Acta Crystallographica Section B 68 (2012) 240–249; doi:10.1107/S0108768112008038

data_2310052
_publ_section_title
;
 Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~
 with low Cu-doping
;
_journal_coeditor_code           pz5097
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              240
_journal_page_last               249
_journal_paper_doi               10.1107/S0108768112008038
_journal_volume                  68
_journal_year                    2012
_chemical_formula_sum            'Ca Mn7 O12'
_chemical_formula_weight         616.6
_space_group_ssg_name            R3(00\g)t
_symmetry_cell_setting           trigonal
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   10.443658(10)
_cell_length_b                   10.443658(10)
_cell_length_c                   6.343562(7)
_cell_measurement_temperature    70
_cell_modulation_dimension       1
_cell_volume                     599.1963(10)
_computing_cell_refinement       'KM4B8 (Kuma Diffraction Ltd., 1996)'
_computing_data_collection       'KM4B8 (Kuma Diffraction Ltd., 1996)'
_computing_data_reduction
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_computing_molecular_graphics    'Diamond 3 (Brandenburg, 1999)'
_computing_publication_material
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_computing_structure_refinement
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_computing_structure_solution    'SIR97 (Altomare et al., 1997)'
_diffrn_ambient_temperature      70
_diffrn_radiation_type           X-ray
_diffrn_radiation_wavelength     0.39996
_exptl_absorpt_coefficient_mu    2.155
_exptl_crystal_density_diffrn    5.1249
_exptl_crystal_F_000             873
_pd_meas_2theta_range_inc        0.001
_pd_meas_2theta_range_max        47.939
_pd_meas_2theta_range_min        0.400
_pd_meas_number_of_points        47540
_pd_proc_2theta_range_inc        0.001
_pd_proc_2theta_range_max        37.199
_pd_proc_2theta_range_min        2.001
_pd_proc_ls_background_function
'Manual background combined with 10 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.1508
_pd_proc_ls_prof_wR_expected     0.1265
_pd_proc_ls_prof_wR_factor       0.2322
_refine_ls_number_constraints    0
_refine_ls_number_parameters     59
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.5289
_refine_ls_shift/su_mean         0.0422
_refine_ls_weighting_scheme      sigma
_cod_duplicate_entry             2310033
_cod_data_source_file            pz5097.cif
_cod_data_source_block           I
_cod_original_formula_sum        'Ca1 Mn7 O12'
_cod_database_code               2310052
Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6)
Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S.; Acta Crystallographica Section B 68 (2012) 323–340; doi:10.1107/S0108768112017478

data_2310053
_publ_section_title
;
 Structure refinement and superspace description of the system
 Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and
 6)
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              323
_journal_page_last               340
_journal_paper_doi               10.1107/S0108768112017478
_journal_volume                  68
_journal_year                    2012
_chemical_formula_moiety         'Bi0.727 Mo0.273 O1.909'
_chemical_formula_sum            'Bi0.727 Mo0.273 O1.909'
_chemical_formula_weight         208.7
_space_group_ssg_name            F2/m(\a0\g)0s
_symmetry_cell_setting           monoclinic
_cell_angle_alpha                90
_cell_angle_beta                 89.7498(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.64477(7)
_cell_length_b                   5.63038(6)
_cell_length_c                   5.44990(6)
_cell_measurement_temperature    295
_cell_modulation_dimension       1
_cell_volume                     173.208(3)
_exptl_crystal_density_diffrn    7.9991
_exptl_crystal_F_000             348
_pd_block_id                     bi8mo3o21_ssp_phase
_cod_duplicate_entry             2310042
_cod_data_source_file            sn5110.cif
_cod_data_source_block           bi8mo3o21_ssp_phase
_cod_database_code               2310053
_jana_cell_commen_supercell_matrix_1_1 7
_jana_cell_commen_supercell_matrix_1_2 0
_jana_cell_commen_supercell_matrix_1_3 -0.5
_jana_cell_commen_supercell_matrix_2_1 0
_jana_cell_commen_supercell_matrix_2_2 1
_jana_cell_commen_supercell_matrix_2_3 0
_jana_cell_commen_supercell_matrix_3_1 1
_jana_cell_commen_supercell_matrix_3_2 0
_jana_cell_commen_supercell_matrix_3_3 1.5
_jana_cell_commen_t_section_1    0.011
Structural transformation of Sb-based high-speed phase-change material
Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kubota, Yoshiki; Kifune, Kouichi; Acta Crystallographica Section B 68 (2012) 559–570; doi:10.1107/S0108768112039961

data_2310057
_publ_section_title
;
 Structural transformation of Sb-based high-speed phase-change material
;
_journal_coeditor_code           DK5006
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              559
_journal_page_last               570
_journal_paper_doi               10.1107/S0108768112039961
_journal_volume                  68
_journal_year                    2012
_chemical_formula_sum            'Sb0.87 Te0.13'
_chemical_formula_weight         122.5
_chemical_name_systematic        ' ?'
_space_group_ssg_name            R-3m(00\g)00
_symmetry_cell_setting           trigonal
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.3181
_cell_length_b                   4.3181
_cell_length_c                   5.7267
_cell_measurement_temperature    773
_cell_modulation_dimension       1
_cell_volume                     92.474
_computing_publication_material
'Jana2000 (Petricek, Dusek & Palatinus, 2000)'
_computing_structure_refinement
'Jana2000 (Petricek, Dusek & Palatinus, 2000)'
_diffrn_ambient_temperature      773
_diffrn_radiation_type           X-ray
_diffrn_radiation_wavelength     0.41853
_exptl_absorpt_coefficient_mu    4.741
_exptl_absorpt_process_details
'(Jana2000; Petricek, Dusek & Palatinus, 2000)'
_exptl_crystal_density_diffrn    6.5977
_exptl_crystal_F_000             1841
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        30.500
_pd_meas_2theta_range_min        3.020
_pd_meas_number_of_points        1375
_pd_proc_2theta_range_inc        0.02
_pd_proc_2theta_range_max        30.5
_pd_proc_2theta_range_min        3.02
_pd_proc_ls_background_function  '36 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0201
_pd_proc_ls_prof_wR_expected     0.0238
_pd_proc_ls_prof_wR_factor       0.0294
_refine_ls_extinction_method     none
_refine_ls_number_parameters     59
_refine_ls_R_factor_all          0.0301
_refine_ls_R_factor_gt           0.0293
_refine_ls_shift/su_max          0.6283
_refine_ls_shift/su_mean         0.0389
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0176
_refine_ls_wR_factor_ref         0.0178
_cod_data_source_file            dk5006.cif
_cod_data_source_block           IV
_cod_original_cell_volume        92.47212
_cod_database_code               2310057
Structural transformation of Sb-based high-speed phase-change material
Matsunaga, Toshiyuki; Kojima, Rie; Yamada, Noboru; Kubota, Yoshiki; Kifune, Kouichi; Acta Crystallographica Section B 68 (2012) 559–570; doi:10.1107/S0108768112039961

data_2310058
_publ_section_title
;
 Structural transformation of Sb-based high-speed phase-change material
;
_journal_coeditor_code           DK5006
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              559
_journal_page_last               570
_journal_paper_doi               10.1107/S0108768112039961
_journal_volume                  68
_journal_year                    2012
_chemical_formula_sum            'Sb0.89 Te0.11'
_chemical_formula_weight         122.4
_chemical_name_systematic        ' ?'
_space_group_ssg_name            R-3m(00\g)00
_symmetry_cell_setting           trigonal
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.29686(13)
_cell_length_b                   4.29686(13)
_cell_length_c                   5.67590(19)
_cell_measurement_temperature    293
_cell_modulation_dimension       1
_cell_volume                     90.754(5)
_diffrn_ambient_temperature      293
_diffrn_radiation_wavelength     0.41873
_exptl_absorpt_coefficient_mu    4.894
_exptl_crystal_density_diffrn    6.7161
_exptl_crystal_F_000             800
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.01
_pd_meas_2theta_range_max        42.100
_pd_meas_2theta_range_min        5.500
_pd_meas_number_of_points        3661
_pd_proc_2theta_range_inc        0.01
_pd_proc_2theta_range_max        42.1
_pd_proc_2theta_range_min        5.5
_pd_proc_ls_background_function  '36 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     'March & Dollase'
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0205
_pd_proc_ls_prof_wR_expected     0.0297
_pd_proc_ls_prof_wR_factor       0.0297
_refine_diff_density_max         50.38
_refine_diff_density_min         -84.53
_refine_ls_goodness_of_fit_all   1.00
_refine_ls_number_constraints    4
_refine_ls_number_parameters     68
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0162
_refine_ls_R_factor_gt           0.0162
_refine_ls_shift/su_max          5.1125
_refine_ls_shift/su_mean         0.6457
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0159
_refine_ls_wR_factor_gt          0.0159
_cod_data_source_file            dk5006.cif
_cod_data_source_block           II
_cod_database_code               2310058
Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping
Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V.; Acta Crystallographica Section B 68 (2012) 240–249; doi:10.1107/S0108768112008038

data_2310059
_publ_section_title
;
 Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~
 with low Cu-doping
;
_journal_coeditor_code           pz5097
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              240
_journal_page_last               249
_journal_paper_doi               10.1107/S0108768112008038
_journal_volume                  68
_journal_year                    2012
_chemical_formula_sum            'Ca Mn7 O12'
_chemical_formula_weight         671.6
_space_group_ssg_name            R31(00\g)ts
_symmetry_cell_setting           trigonal
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   10.4452(2)
_cell_length_b                   10.4452(2)
_cell_length_c                   6.3453(2)
_cell_measurement_temperature    60
_cell_modulation_dimension       1
_cell_volume                     599.54(2)
_diffrn_ambient_temperature      60
_diffrn_measurement_device_type  D2B
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.59493
_exptl_absorpt_coefficient_mu    0.095
_exptl_crystal_density_diffrn    11.1573
_exptl_crystal_F_000             873
_pd_meas_2theta_range_inc        0.05
_pd_meas_2theta_range_max        159.850
_pd_meas_2theta_range_min        3.200
_pd_meas_number_of_points        3134
_pd_proc_2theta_range_inc        0.05
_pd_proc_2theta_range_max        159.85
_pd_proc_2theta_range_min        5.05
_pd_proc_ls_background_function  '30 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0511
_pd_proc_ls_prof_wR_expected     0.0458
_pd_proc_ls_prof_wR_factor       0.0692
_refine_ls_number_constraints    5
_refine_ls_number_parameters     52
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.0276
_refine_ls_shift/su_mean         0.0049
_refine_ls_weighting_scheme      sigma
_cod_duplicate_entry             2310036
_cod_data_source_file            pz5097.cif
_cod_data_source_block           III
_cod_depositor_comments
;
 Removing duplicate rows from the ATOM_TYPE loop.

 Antanas Vaitkus,
 2018-08-07
;
_cod_original_formula_sum        'Ca1 Mn6 Mn1 O12'
_cod_database_code               2310059
Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~ with low Cu-doping
Sławiński, W.; Przeniosło, R.; Sosnowska, I.; Petříček, V.; Acta Crystallographica Section B 68 (2012) 240–249; doi:10.1107/S0108768112008038

data_2310060
_publ_section_title
;
 Helical screw type magnetic structure of the multiferroic CaMn~7~O~12~
 with low Cu-doping
;
_journal_coeditor_code           pz5097
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              240
_journal_page_last               249
_journal_paper_doi               10.1107/S0108768112008038
_journal_volume                  68
_journal_year                    2012
_chemical_formula_sum            'Ca Cu0.246 Mn6.754 O12'
_chemical_formula_weight         618.8
_space_group_ssg_name            R31(00\g)ts
_symmetry_cell_setting           trigonal
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   10.403(2)
_cell_length_b                   10.403(2)
_cell_length_c                   6.3340(14)
_cell_measurement_temperature    60
_cell_modulation_dimension       1
_cell_volume                     593.6(2)
_diffrn_ambient_temperature      60
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     2.41835
_exptl_absorpt_coefficient_mu    0.124
_exptl_crystal_density_diffrn    10.3809
_exptl_crystal_F_000             876
_pd_meas_2theta_range_max        154.671
_pd_meas_2theta_range_min        1.155
_pd_meas_number_of_points        1536
_pd_proc_2theta_range_max        139.991
_pd_proc_2theta_range_min        10.05
_pd_proc_ls_background_function  '20 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Gaussian
_pd_proc_ls_prof_R_factor        0.0246
_pd_proc_ls_prof_wR_expected     0.0074
_pd_proc_ls_prof_wR_factor       0.0371
_refine_ls_number_constraints    5
_refine_ls_number_parameters     35
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          0.0509
_refine_ls_shift/su_mean         0.0038
_refine_ls_weighting_scheme      sigma
_cod_duplicate_entry             2310037
_cod_data_source_file            pz5097.cif
_cod_data_source_block           VI
_cod_depositor_comments
;
 Removing duplicate rows from the ATOM_TYPE loop.

 Antanas Vaitkus,
 2018-08-07
;
_cod_original_cell_volume        593.7(2)
_cod_original_formula_sum        'Ca1 Cu0.246 Mn5.754 Mn1 O12'
_cod_database_code               2310060
Structure refinement and superspace description of the system Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and 6)
Bereciartua, P. J.; Zuñiga, F. J.; Perez-Mato, J. M.; Petříček, V.; Vila, E.; Castro, A.; Rodríguez-Carvajal, J.; Doyle, S.; Acta Crystallographica Section B 68 (2012) 323–340; doi:10.1107/S0108768112017478

data_2310061
_publ_section_title
;
 Structure refinement and superspace description of the system
 Bi~2(<i>n~+2)</i>Mo~<i>n~</i>O~6(<i>n~+1)</i> (<i>n</i> = 3, 4, 5 and
 6)
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              323
_journal_page_last               340
_journal_paper_doi               10.1107/S0108768112017478
_journal_volume                  68
_journal_year                    2012
_chemical_formula_moiety         'Bi0.737 Mo0.263 O1.895'
_chemical_formula_sum            'Bi0.737 Mo0.263 O1.895'
_chemical_formula_weight         209.6
_space_group_ssg_name            F2(\a0\g)0
_symmetry_cell_setting           monoclinic
_cell_angle_alpha                90
_cell_angle_beta                 89.6677(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.66785(3)
_cell_length_b                   5.64098(3)
_cell_length_c                   5.45603(3)
_cell_measurement_temperature    295
_cell_modulation_dimension       1
_cell_volume                     174.4385(16)
_exptl_crystal_density_diffrn    7.9772
_exptl_crystal_F_000             349
_pd_block_id                     bi14mo5o36_ssp_phase
_cod_duplicate_entry             2310039
_cod_data_source_file            sn5110.cif
_cod_data_source_block           bi14mo5o36_ssp_phase
_cod_original_cell_volume        174.439(2)
_cod_database_code               2310061
_jana_cell_commen_supercell_matrix_1_1 6
_jana_cell_commen_supercell_matrix_1_2 0
_jana_cell_commen_supercell_matrix_1_3 -0.5
_jana_cell_commen_supercell_matrix_2_1 0
_jana_cell_commen_supercell_matrix_2_2 1
_jana_cell_commen_supercell_matrix_2_3 0
_jana_cell_commen_supercell_matrix_3_1 1
_jana_cell_commen_supercell_matrix_3_2 0
_jana_cell_commen_supercell_matrix_3_3 1.5
_jana_cell_commen_t_section_1    0
Hochdrucksysteme quaternaerer Chalkogenidhalogenide A B2 X3 Y (A=Cu,Ag; B=In; X=S,Se,Te; Y=Cl,Br,I)
Huebner, H.J.; Range, K.J.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 38 (1983) 155–160; doi:

data_7209329
_publ_section_title
;
 Hochdrucksysteme quaternaerer Chalkogenidhalogenide A B2 X3 Y (A=Cu,Ag;
 B=In; X=S,Se,Te; Y=Cl,Br,I)
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische
 Chemie (33,1978-41,1986)
;
_journal_page_first              155
_journal_page_last               160
_journal_volume                  38
_journal_year                    1983
_chemical_formula_sum            'Ag Cl In2 S3'
_chemical_name_systematic        'Ag In2 S3 Cl'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.846
_cell_length_b                   10.846
_cell_length_c                   10.846
_cell_volume                     1275.877
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            silver1-2_160.cif
_cod_data_source_block           Ag1Cl1In2S3
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'Ag1 Cl1 In2 S3'
_cod_database_code               7209329
Hochdrucksysteme quaternaerer Chalkogenidhalogenide A B2 X3 Y (A=Cu,Ag; B=In; X=S,Se,Te; Y=Cl,Br,I)
Huebner, H.J.; Range, K.J.; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 38 (1983) 155–160; doi:

data_7209330
_publ_section_title
;
 Hochdrucksysteme quaternaerer Chalkogenidhalogenide A B2 X3 Y (A=Cu,Ag;
 B=In; X=S,Se,Te; Y=Cl,Br,I)
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische
 Chemie (33,1978-41,1986)
;
_journal_page_first              155
_journal_page_last               160
_journal_volume                  38
_journal_year                    1983
_chemical_formula_sum            'Ag Cl In2 Se3'
_chemical_name_systematic        'Ag In2 Se3 Cl'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.351
_cell_length_b                   11.351
_cell_length_c                   11.351
_cell_volume                     1462.522
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            silver1-2_161.cif
_cod_data_source_block           Ag1Cl1In2Se3
_cod_original_sg_symbol_Hall     '-F 4vw 2vw 3 (x+1/8,y+1/8,z+1/8)'
_cod_original_formula_sum        'Ag1 Cl1 In2 Se3'
_cod_database_code               7209330