LMucko/crystallography-open-database huggingface dataset:
Novel Silicate Anion: Si8O2212-. Hydrothermal Synthesis and X-ray Powder Structure of Three New Niobium Silicates
Miguel A. Salvadó; Pilar Pertierra; Santiago García-Granda; Sergei A. Khainakov; José R. García; Anatoly I. Bortun; Abraham Clearfield; Inorganic Chemistry 40 (2001) 4368–4373; doi:10.1021/ic0101174

data_4320068
_publ_contact_author_address
;
Dpto. Qu\'imica F\'isica y Anal\'itica
Universidad de Oviedo
33006 - Oviedo
Spain
;
_publ_contact_author_email       mass@sauron.quimica.uniovi.es
_publ_contact_author_name        'Dr Miguel A. Salvad\'o'
_publ_section_title
;
 Novel Silicate Anion: Si8O2212-. Hydrothermal Synthesis and X-ray Powder
 Structure of Three New Niobium Silicates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4368
_journal_page_last               4373
_journal_paper_doi               10.1021/ic0101174
_journal_volume                  40
_journal_year                    2001
_chemical_formula_moiety         'H3 Nb1 O12 Si4, (H2 O)'
_chemical_formula_structural     'H Nb (H2 O) Si4 O11 (H2 O)'
_chemical_formula_sum            'H5 Nb O13 Si4'
_chemical_formula_weight         418.28
_chemical_name_systematic
;
niobium(V)tetrasilicate monohydrate
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 107.293(3)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   7.3639(4)
_cell_length_b                   9.0086(7)
_cell_length_c                   9.6355(5)
_cell_measurement_temperature    295
_cell_volume                     610.31(7)
_computing_molecular_graphics    'EUCLID (Spek, 1982)'
_computing_structure_refinement  'FULLPROF (Rodriguez-Carvajal, 1990)'
_diffrn_measurement_device_type  Bragg-Brentano
_diffrn_radiation_wavelength     1.5418
_exptl_crystal_density_diffrn    2.28
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             412
_pd_char_colour                  white
_pd_meas_2theta_range_inc        0.02
_pd_meas_2theta_range_max        110
_pd_meas_2theta_range_min        11
_pd_meas_number_of_points        4951
_pd_proc_ls_background_function  'fourth degree polynomial'
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_prof_R_factor        0.0110
_pd_proc_ls_prof_wR_expected     0.0033
_pd_proc_ls_prof_wR_factor       0.0134
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   4.02
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_constraints    13
_refine_ls_number_parameters     54
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            ic0101174_3.cif
_cod_data_source_block           ns91data
_cod_original_cell_volume        610.31
_cod_original_formula_sum        'H5 Nb1 O13 Si4'
_cod_database_code               4320068
Molecular Structure of the Molybdenum Oxo-Diperoxo Compound MoO(O2)2(OPy)(H2O): A Computational and X-ray Study
Fabrício R. Sensato; Quezia B. Cass; Elson Longo; Julio Zukerman-Schpector; Rogerio Custodio; Juan Andrés; Marcelo Zaldini Hernandes; Ricardo L. Longo; Inorganic Chemistry 40 (2001) 6022–6025; doi:10.1021/ic010020h

data_4320448
_publ_contact_author
;
   Prof. J. Zukerman-Schpector
   Depto. Qu\'imica
   Universidade Federal de S\~ao Carlos
   Caixa Postal 676
   13565-905 - S\~ao Carlos - SP
   Brazil
;
_publ_contact_author_email       julio@power.ufscar.br
_publ_contact_author_fax         55(16)2608350
_publ_contact_author_phone       55(16)2727344
_publ_section_title
;
 Molecular Structure of the Molybdenum Oxo-Diperoxo Compound
 MoO(O2)2(OPy)(H2O): A Computational and X-ray Study
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6022
_journal_page_last               6025
_journal_paper_doi               10.1021/ic010020h
_journal_volume                  40
_journal_year                    2001
_chemical_compound_source
'Single crystals were obtained from an aqueous/isopropanol solution'
_chemical_formula_sum            'C5 H7 Mo N O7'
_chemical_formula_weight         289.06
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_audit_creation_method           'manual editing of SHELXL97.CIF'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.9001(9)
_cell_length_b                   8.0471(1)
_cell_length_c                   16.227(2)
_cell_measurement_temperature    291(1)
_cell_volume                     901.02(16)
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.130
_refine_ls_R_factor_obs          0.0285
_cod_data_source_file            ic010020h.cif
_cod_data_source_block           JZS1818
_cod_original_cell_volume        901.0(2)
_cod_original_sg_symbol_H-M      'P n m a '
_cod_database_code               4320448
Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction
Andreas Leineweber; Herbert Jacobs; Steve Hull; Inorganic Chemistry 40 (2001) 5818–5822; doi:10.1021/ic0104860

data_4320485
_publ_contact_author             'Prof. Dr. Herbert Jacobs'
_publ_contact_author_email       jacobs@pop.uni-dortmund.de
_publ_contact_author_fax         '+49 231 755 5048'
_publ_contact_author_phone       '+49 231 755 3803'
_publ_section_title
;
 Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron
 Diffraction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5818
_journal_page_last               5822
_journal_paper_doi               10.1021/ic0104860
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'N Ni3'
_space_group_IT_number           182
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            2
_cell_length_a                   4.622411(20)
_cell_length_b                   4.622411
_cell_length_c                   4.305901
_cell_volume                     79.6768(3)
_computing_structure_refinement  GSAS
_pd_block_id                     2001-05-14T21:06|PHASE_1||
_pd_phase_name                   Ni3N
_refine_ls_goodness_of_fit_all   2.22
_refine_ls_number_parameters     56
_refine_ls_shift/esd_max         .02
_refine_ls_shift/esd_mean        .00
_cod_data_source_file            ic0104860_01.cif
_cod_data_source_block           RT_phase_1
_cod_original_formula_sum        'Ni3 N'
_cod_database_code               4320485
_cod_database_fobs_code          4320485
Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction
Andreas Leineweber; Herbert Jacobs; Steve Hull; Inorganic Chemistry 40 (2001) 5818–5822; doi:10.1021/ic0104860

data_4320486
_publ_contact_author             'Prof. Dr. Herbert Jacobs'
_publ_contact_author_email       jacobs@pop.uni-dortmund.de
_publ_contact_author_fax         '+49 231 755 5048'
_publ_contact_author_phone       '+49 231 755 3803'
_publ_section_title
;
 Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron
 Diffraction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5818
_journal_page_last               5822
_journal_paper_doi               10.1021/ic0104860
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            Ni
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   3.52288(20)
_cell_length_b                   3.52288
_cell_length_c                   3.52288
_cell_volume                     43.721(2)
_computing_structure_refinement  GSAS
_pd_block_id                     2001-05-14T21:06|PHASE_2||
_pd_phase_name                   Ni
_refine_ls_goodness_of_fit_all   2.22
_refine_ls_number_parameters     56
_refine_ls_shift/esd_max         .02
_refine_ls_shift/esd_mean        .00
_cod_data_source_file            ic0104860_02.cif
_cod_data_source_block           RT_phase_2
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               4320486
_cod_database_fobs_code          4320486
Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction
Andreas Leineweber; Herbert Jacobs; Steve Hull; Inorganic Chemistry 40 (2001) 5818–5822; doi:10.1021/ic0104860

data_4320487
_publ_contact_author             'Prof. Dr. Herbert Jacobs'
_publ_contact_author_email       jacobs@pop.uni-dortmund.de
_publ_contact_author_fax         '+49 231 755 5048'
_publ_contact_author_phone       '+49 231 755 3803'
_publ_section_title
;
 Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron
 Diffraction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5818
_journal_page_last               5822
_journal_paper_doi               10.1021/ic0104860
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'Ni O'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   4.18263(33)
_cell_length_b                   4.18263
_cell_length_c                   4.18263
_cell_volume                     73.173(6)
_computing_structure_refinement  GSAS
_pd_block_id                     2001-05-14T21:06|PHASE_3||
_pd_phase_name                   NiO
_refine_ls_goodness_of_fit_all   2.22
_refine_ls_number_parameters     56
_refine_ls_shift/esd_max         .02
_refine_ls_shift/esd_mean        .00
_cod_data_source_file            ic0104860_03.cif
_cod_data_source_block           RT_phase_3
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               4320487
_cod_database_fobs_code          4320487
Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction
Andreas Leineweber; Herbert Jacobs; Steve Hull; Inorganic Chemistry 40 (2001) 5818–5822; doi:10.1021/ic0104860

data_4320488
_publ_contact_author             'Prof. Dr. Herbert Jacobs'
_publ_contact_author_email       jacobs@pop.uni-dortmund.de
_publ_contact_author_fax         '+49 231 755 5048'
_publ_contact_author_phone       '+49 231 755 3803'
_publ_section_title
;
 Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron
 Diffraction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5818
_journal_page_last               5822
_journal_paper_doi               10.1021/ic0104860
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'N Ni3'
_space_group_IT_number           182
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            2
_cell_length_a                   4.626407(23)
_cell_length_b                   4.626407
_cell_length_c                   4.30998
_cell_volume                     79.8902(4)
_computing_structure_refinement  GSAS
_pd_block_id                     2001-05-14T21:16|PHASE_1||
_pd_phase_name                   Ni3N
_refine_ls_goodness_of_fit_all   1.68
_refine_ls_number_parameters     56
_refine_ls_shift/esd_max         .03
_refine_ls_shift/esd_mean        .00
_cod_data_source_file            ic0104860_04.cif
_cod_data_source_block           100_phase_1
_cod_original_formula_sum        'Ni3 N'
_cod_database_code               4320488
_cod_database_fobs_code          4320488
Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction
Andreas Leineweber; Herbert Jacobs; Steve Hull; Inorganic Chemistry 40 (2001) 5818–5822; doi:10.1021/ic0104860

data_4320489
_publ_contact_author             'Prof. Dr. Herbert Jacobs'
_publ_contact_author_email       jacobs@pop.uni-dortmund.de
_publ_contact_author_fax         '+49 231 755 5048'
_publ_contact_author_phone       '+49 231 755 3803'
_publ_section_title
;
 Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron
 Diffraction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5818
_journal_page_last               5822
_journal_paper_doi               10.1021/ic0104860
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            Ni
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   3.52706(23)
_cell_length_b                   3.52706
_cell_length_c                   3.52706
_cell_volume                     43.877(3)
_computing_structure_refinement  GSAS
_pd_block_id                     2001-05-14T21:16|PHASE_2||
_pd_phase_name                   Ni
_refine_ls_goodness_of_fit_all   1.68
_refine_ls_number_parameters     56
_refine_ls_shift/esd_max         .03
_refine_ls_shift/esd_mean        .00
_cod_data_source_file            ic0104860_05.cif
_cod_data_source_block           100_phase_2
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               4320489
_cod_database_fobs_code          4320489
Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction
Andreas Leineweber; Herbert Jacobs; Steve Hull; Inorganic Chemistry 40 (2001) 5818–5822; doi:10.1021/ic0104860

data_4320490
_publ_contact_author             'Prof. Dr. Herbert Jacobs'
_publ_contact_author_email       jacobs@pop.uni-dortmund.de
_publ_contact_author_fax         '+49 231 755 5048'
_publ_contact_author_phone       '+49 231 755 3803'
_publ_section_title
;
 Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron
 Diffraction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5818
_journal_page_last               5822
_journal_paper_doi               10.1021/ic0104860
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'Ni O'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   4.1872(4)
_cell_length_b                   4.1872
_cell_length_c                   4.1872
_cell_volume                     73.413(7)
_computing_structure_refinement  GSAS
_pd_block_id                     2001-05-14T21:16|PHASE_3||
_pd_phase_name                   NiO
_refine_ls_goodness_of_fit_all   1.68
_refine_ls_number_parameters     56
_refine_ls_shift/esd_max         .03
_refine_ls_shift/esd_mean        .00
_cod_data_source_file            ic0104860_06.cif
_cod_data_source_block           100_phase_3
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               4320490
_cod_database_fobs_code          4320490
Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction
Andreas Leineweber; Herbert Jacobs; Steve Hull; Inorganic Chemistry 40 (2001) 5818–5822; doi:10.1021/ic0104860

data_4320491
_publ_contact_author             'Prof. Dr. Herbert Jacobs'
_publ_contact_author_email       jacobs@pop.uni-dortmund.de
_publ_contact_author_fax         '+49 231 755 5048'
_publ_contact_author_phone       '+49 231 755 3803'
_publ_section_title
;
 Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron
 Diffraction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5818
_journal_page_last               5822
_journal_paper_doi               10.1021/ic0104860
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'N Ni3'
_space_group_IT_number           182
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            2
_cell_length_a                   4.628995(24)
_cell_length_b                   4.628995
_cell_length_c                   4.31263
_cell_volume                     80.0288(4)
_computing_structure_refinement  GSAS
_pd_block_id                     2001-05-14T21:18|PHASE_1||
_pd_phase_name                   Ni3N
_refine_ls_goodness_of_fit_all   1.64
_refine_ls_number_parameters     56
_refine_ls_shift/esd_max         .02
_refine_ls_shift/esd_mean        .00
_cod_data_source_file            ic0104860_07.cif
_cod_data_source_block           150_phase_1
_cod_original_formula_sum        'Ni3 N'
_cod_database_code               4320491
_cod_database_fobs_code          4320491
Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction
Andreas Leineweber; Herbert Jacobs; Steve Hull; Inorganic Chemistry 40 (2001) 5818–5822; doi:10.1021/ic0104860

data_4320492
_publ_contact_author             'Prof. Dr. Herbert Jacobs'
_publ_contact_author_email       jacobs@pop.uni-dortmund.de
_publ_contact_author_fax         '+49 231 755 5048'
_publ_contact_author_phone       '+49 231 755 3803'
_publ_section_title
;
 Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron
 Diffraction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5818
_journal_page_last               5822
_journal_paper_doi               10.1021/ic0104860
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            Ni
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   3.52916(25)
_cell_length_b                   3.52916
_cell_length_c                   3.52916
_cell_volume                     43.956(3)
_computing_structure_refinement  GSAS
_pd_block_id                     2001-05-14T21:18|PHASE_2||
_pd_phase_name                   Ni
_refine_ls_goodness_of_fit_all   1.64
_refine_ls_number_parameters     56
_refine_ls_shift/esd_max         .02
_refine_ls_shift/esd_mean        .00
_cod_data_source_file            ic0104860_08.cif
_cod_data_source_block           150_phase_2
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               4320492
_cod_database_fobs_code          4320492
Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction
Andreas Leineweber; Herbert Jacobs; Steve Hull; Inorganic Chemistry 40 (2001) 5818–5822; doi:10.1021/ic0104860

data_4320493
_publ_contact_author             'Prof. Dr. Herbert Jacobs'
_publ_contact_author_email       jacobs@pop.uni-dortmund.de
_publ_contact_author_fax         '+49 231 755 5048'
_publ_contact_author_phone       '+49 231 755 3803'
_publ_section_title
;
 Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron
 Diffraction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5818
_journal_page_last               5822
_journal_paper_doi               10.1021/ic0104860
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'Ni O'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   4.19006(35)
_cell_length_b                   4.19006
_cell_length_c                   4.19006
_cell_volume                     73.563(6)
_computing_structure_refinement  GSAS
_pd_block_id                     2001-05-14T21:18|PHASE_3||
_pd_phase_name                   NiO
_refine_ls_goodness_of_fit_all   1.64
_refine_ls_number_parameters     56
_refine_ls_shift/esd_max         .02
_refine_ls_shift/esd_mean        .00
_cod_data_source_file            ic0104860_09.cif
_cod_data_source_block           150_phase_3
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               4320493
_cod_database_fobs_code          4320493
Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron Diffraction
Andreas Leineweber; Herbert Jacobs; Steve Hull; Inorganic Chemistry 40 (2001) 5818–5822; doi:10.1021/ic0104860

data_4320494
_publ_contact_author             'Prof. Dr. Herbert Jacobs'
_publ_contact_author_email       jacobs@pop.uni-dortmund.de
_publ_contact_author_fax         '+49 231 755 5048'
_publ_contact_author_phone       '+49 231 755 3803'
_publ_section_title
;
 Ordering of Nitrogen in Nickel Nitride Ni3N Determined by Neutron
 Diffraction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5818
_journal_page_last               5822
_journal_paper_doi               10.1021/ic0104860
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'N Ni3'
_space_group_IT_number           182
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            2
_cell_length_a                   4.631653(25)
_cell_length_b                   4.631652
_cell_length_c                   4.31543
_cell_volume                     80.1727(4)
_computing_structure_refinement  GSAS
_pd_block_id                     2001-05-14T21:19|PHASE_1||
_pd_phase_name                   Ni3N
_refine_ls_goodness_of_fit_all   1.69
_refine_ls_number_parameters     56
_refine_ls_shift/esd_max         .04
_refine_ls_shift/esd_mean        .01
_cod_data_source_file            ic0104860_10.cif
_cod_data_source_block           200_phase_1
_cod_original_formula_sum        'Ni3 N'
_cod_database_code               4320494
_cod_database_fobs_code          4320494