LMucko/crystallography-open-database huggingface dataset:
Studies on some mixed chalcogenides
Kamat Dalal, V.N.; Keer, H.V.; Biswas, A.B.; Journal of Inorganic and Nuclear Chemistry 33 (1971) 2839–2845; doi:

data_4031180
_publ_section_title
;
 Studies on some mixed chalcogenides
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              2839
_journal_page_last               2845
_journal_volume                  33
_journal_year                    1971
_chemical_formula_sum            'Mn0.6 Ni0.4 Te'
_chemical_name_systematic        '(Mn0.6 Ni0.4) Te'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   4.126
_cell_length_b                   4.126
_cell_length_c                   6.666
_cell_volume                     98.278
_citation_journal_id_ASTM        JINCAO
_cod_data_source_file            KamatDalal_JINCAO_1971_1139.cif
_cod_data_source_block           Mn0.6Ni0.4Te1
_cod_original_cell_volume        98.27756
_cod_original_formula_sum        'Mn0.6 Ni0.4 Te1'
_cod_database_code               4031180
Ordering of atoms in the sigma phase
Kasper, J.S.; Waterstrat, R.M.; Acta Crystallographica (1,1948-23,1967) 9 (1956) 289–295; doi:

data_2310218
_publ_section_title
;
 Ordering of atoms in the sigma phase
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              289
_journal_page_last               295
_journal_volume                  9
_journal_year                    1956
_chemical_formula_sum            'Ni4.56 V10.44'
_chemical_name_systematic        '(Ni4.56 V10.44)'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.98
_cell_length_b                   8.98
_cell_length_c                   4.64
_cell_volume                     374.171
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Kasper_ACCRA9_1956_1567.cif
_cod_data_source_block           Ni4.56V10.44
_cod_original_cell_volume        374.1714
_cod_database_code               2310218
Rare earth polonides
Kershner, C.J.; de Sando, R.J.; Steinmeyer, R.H.; Heidelberg, R.F.; Journal of Inorganic and Nuclear Chemistry 28 (1966) 1581–1588; doi:

data_4031181
_publ_section_title
;
 Rare earth polonides
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              1581
_journal_page_last               1588
_journal_volume                  28
_journal_year                    1966
_chemical_formula_sum            'Lu Po'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.159
_cell_length_b                   6.159
_cell_length_c                   6.159
_cell_volume                     233.631
_citation_journal_id_ASTM        JINCAO
_cod_data_source_file            Kershner_JINCAO_1966_1039.cif
_cod_data_source_block           Lu1Po1
_cod_original_cell_volume        233.6311
_cod_original_formula_sum        'Lu1 Po1'
_cod_database_code               4031181
Rare earth polonides
Kershner, C.J.; de Sando, R.J.; Heidelberg, R.F.; Steinmeyer, R.H.; Journal of Inorganic and Nuclear Chemistry 28 (1966) 1581–1588; doi:

data_4031182
_publ_section_title
;
 Rare earth polonides
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              1581
_journal_page_last               1588
_journal_volume                  28
_journal_year                    1966
_chemical_formula_sum            'Po Sm'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.724
_cell_length_b                   6.724
_cell_length_c                   6.724
_cell_volume                     304.007
_citation_journal_id_ASTM        JINCAO
_cod_data_source_file            Kershner_JINCAO_1966_1819.cif
_cod_data_source_block           Po1Sm1
_cod_original_cell_volume        304.0067
_cod_original_formula_sum        'Po1 Sm1'
_cod_database_code               4031182
Rare earth polonides
Kershner, C.J.; de Sando, R.J.; Heidelberg, R.F.; Steinmeyer, R.H.; Journal of Inorganic and Nuclear Chemistry 28 (1966) 1581–1588; doi:

data_4031183
_publ_section_title
;
 Rare earth polonides
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              1581
_journal_page_last               1588
_journal_volume                  28
_journal_year                    1966
_chemical_formula_sum            'Po Tb'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.254
_cell_length_b                   6.254
_cell_length_c                   6.254
_cell_volume                     244.610
_citation_journal_id_ASTM        JINCAO
_cod_data_source_file            Kershner_JINCAO_1966_1821.cif
_cod_data_source_block           Po1Tb1
_cod_original_cell_volume        244.6097
_cod_original_formula_sum        'Po1 Tb1'
_cod_database_code               4031183
Rare earth polonides
Kershner, C.J.; Heidelberg, R.F.; de Sando, R.J.; Steinmeyer, R.H.; Journal of Inorganic and Nuclear Chemistry 28 (1966) 1581–1588; doi:

data_4031184
_publ_section_title
;
 Rare earth polonides
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              1581
_journal_page_last               1588
_journal_volume                  28
_journal_year                    1966
_chemical_formula_sum            'Po Tm'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.256
_cell_length_b                   6.256
_cell_length_c                   6.256
_cell_volume                     244.844
_citation_journal_id_ASTM        JINCAO
_cod_data_source_file            Kershner_JINCAO_1966_1822.cif
_cod_data_source_block           Po1Tm1
_cod_original_cell_volume        244.8444
_cod_original_formula_sum        'Po1 Tm1'
_cod_database_code               4031184
Rare earth polonides
Kershner, C.J.; de Sando, R.J.; Heidelberg, R.F.; Steinmeyer, R.H.; Journal of Inorganic and Nuclear Chemistry 28 (1966) 1581–1588; doi:

data_4031185
_publ_section_title
;
 Rare earth polonides
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              1581
_journal_page_last               1588
_journal_volume                  28
_journal_year                    1966
_chemical_formula_sum            'Po Yb'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.542
_cell_length_b                   6.542
_cell_length_c                   6.542
_cell_volume                     279.983
_citation_journal_id_ASTM        JINCAO
_cod_data_source_file            Kershner_JINCAO_1966_1823.cif
_cod_data_source_block           Po1Yb1
_cod_original_cell_volume        279.9829
_cod_original_formula_sum        'Po1 Yb1'
_cod_database_code               4031185
Rare earth polonides
Kershner, C.J.; de Sando, R.J.; Heidelberg, R.F.; Steinmeyer, R.H.; Journal of Inorganic and Nuclear Chemistry 28 (1966) 1581–1588; doi:

data_4031186
_publ_section_title
;
 Rare earth polonides
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              1581
_journal_page_last               1588
_journal_volume                  28
_journal_year                    1966
_chemical_formula_sum            'Ho Po'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.2
_cell_length_b                   6.2
_cell_length_c                   6.2
_cell_volume                     238.328
_citation_journal_id_ASTM        JINCAO
_cod_data_source_file            Kershner_JINCAO_1966_725.cif
_cod_data_source_block           Ho1Po1
_cod_original_formula_sum        'Ho1 Po1'
_cod_database_code               4031186
Promethium polonide synthesis and characterization
Kershner, C.J.; de Sando, R.J.; Journal of Inorganic and Nuclear Chemistry 32 (1970) 2911–2918; doi:

data_4031187
_publ_section_title
;
 Promethium polonide synthesis and characterization
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              2911
_journal_page_last               2918
_journal_volume                  32
_journal_year                    1970
_chemical_formula_sum            'Pm Po'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.36
_cell_length_b                   6.36
_cell_length_c                   6.36
_cell_volume                     257.259
_citation_journal_id_ASTM        JINCAO
_cod_data_source_file            Kershner_JINCAO_1970_1817.cif
_cod_data_source_block           Pm1Po1
_cod_original_cell_volume        257.2595
_cod_original_formula_sum        'Pm1 Po1'
_cod_database_code               4031187
The structures of Ni Zr2, Ni Zr and their hafnium analogs
Kirkpatrick, M.E.; Bailey, D.M.; Smith, J.F.; Acta Crystallographica (1,1948-23,1967) 15 (1962) 252–255; doi:

data_2310219
_publ_section_title
;
 The structures of Ni Zr2, Ni Zr and their hafnium analogs
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              252
_journal_page_last               255
_journal_volume                  15
_journal_year                    1962
_chemical_formula_sum            'Ni Zr'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   3.268
_cell_length_b                   9.937
_cell_length_c                   4.101
_cell_volume                     133.176
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Kirkpatrick_ACCRA9_1962_1588.cif
_cod_data_source_block           Ni1Zr1
_cod_original_cell_volume        133.1763
_cod_original_formula_sum        'Ni1 Zr1'
_cod_database_code               2310219
The structures of Ni Zr2, Ni Zr and their hafnium analogs
Kirkpatrick, M.E.; Smith, J.F.; Bailey, D.M.; Acta Crystallographica (1,1948-23,1967) 15 (1962) 252–255; doi:

data_2310220
_publ_section_title
;
 The structures of Ni Zr2, Ni Zr and their hafnium analogs
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              252
_journal_page_last               255
_journal_volume                  15
_journal_year                    1962
_chemical_formula_sum            'Ni Zr2'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.477
_cell_length_b                   6.477
_cell_length_c                   5.241
_cell_volume                     219.868
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Kirkpatrick_ACCRA9_1962_1589.cif
_cod_data_source_block           Ni1Zr2
_cod_original_formula_sum        'Ni1 Zr2'
_cod_database_code               2310220
Structures of the intermediate phases Ni10 Zr7 and Ni10 Hf7
Kirkpatrick, M.E.; Smith, J.F.; Larsen, W.L.; Acta Crystallographica (1,1948-23,1967) 15 (1962) 894–903; doi:

data_2310221
_publ_section_title
;
 Structures of the intermediate phases Ni10 Zr7 and Ni10 Hf7
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              894
_journal_page_last               903
_journal_volume                  15
_journal_year                    1962
_chemical_formula_sum            'Ni10 Zr7'
_space_group_IT_number           41
_symmetry_space_group_name_Hall  'A 2 -2ab'
_symmetry_space_group_name_H-M   'A b a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.211
_cell_length_b                   9.156
_cell_length_c                   12.386
_cell_volume                     1044.585
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Kirkpatrick_ACCRA9_1962_1593.cif
_cod_data_source_block           Ni10Zr7
_cod_database_code               2310221
Structures of the intermediate phases Ni10 Zr7 and Ni10 Hf7
Kirkpatrick, M.E.; Smith, J.F.; Larsen, W.L.; Acta Crystallographica (1,1948-23,1967) 15 (1962) 894–903; doi:

data_2310222
_publ_section_title
;
 Structures of the intermediate phases Ni10 Zr7 and Ni10 Hf7
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              894
_journal_page_last               903
_journal_volume                  15
_journal_year                    1962
_chemical_formula_sum            'Ni10 Zr7'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.497
_cell_length_b                   9.21
_cell_length_c                   9.325
_cell_volume                     1073.283
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Kirkpatrick_ACCRA9_1962_1594.cif
_cod_data_source_block           Ni10Zr7
_cod_database_code               2310222
Yttrium-nickel Y Ni with the FeB structure type
Klepp, K.; Parthe, E.; Acta Crystallographica B (24,1968-38,1982) 36 (1980) 3093–3094; doi:

data_2106095
_publ_section_title
;
 Yttrium-nickel Y Ni with the FeB structure type
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              3093
_journal_page_last               3094
_journal_volume                  36
_journal_year                    1980
_chemical_formula_sum            'Ni Y'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.156
_cell_length_b                   4.124
_cell_length_c                   5.515
_cell_volume                     162.755
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Klepp_ACBCAR_1980_1574.cif
_cod_data_source_block           Ni1Y1
_cod_original_cell_volume        162.7551
_cod_original_formula_sum        'Ni1 Y1'
_cod_database_code               2106095
Fe B - Cr B stacking variations for rare-earth-nickel alloys in the quasi-binary sections R1-x Rx Ni
Klepp, K.; Parthe, E.; Acta Crystallographica B (24,1968-38,1982) 36 (1980) 774–782; doi:

data_2106096
_publ_section_title
;
 Fe B - Cr B stacking variations for rare-earth-nickel alloys in the
 quasi-binary sections R1-x Rx Ni
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              774
_journal_page_last               782
_journal_volume                  36
_journal_year                    1980
_chemical_formula_sum            'Gd0.75 Ni Y0.25'
_chemical_name_systematic        '(Gd0.75 Y0.25) Ni'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.37
_cell_angle_gamma                90
_cell_formula_units_Z            10
_cell_length_a                   18.2
_cell_length_b                   4.212
_cell_length_c                   5.506
_cell_volume                     412.282
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Klepp_ACBCAR_1980_465.cif
_cod_data_source_block           Gd0.75Ni1Y0.25
_cod_original_cell_volume        412.2824
_cod_original_formula_sum        'Gd0.75 Ni1 Y0.25'
_cod_database_code               2106096
Fe B - Cr B stacking variations for rare-earth-nickel alloys in the quasi-binary sections R1-x Rx Ni
Klepp, K.; Parthe, E.; Acta Crystallographica B (24,1968-38,1982) 36 (1980) 774–782; doi:

data_2106097
_publ_section_title
;
 Fe B - Cr B stacking variations for rare-earth-nickel alloys in the
 quasi-binary sections R1-x Rx Ni
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              774
_journal_page_last               782
_journal_volume                  36
_journal_year                    1980
_chemical_formula_sum            'Gd0.7 Ni Y0.3'
_chemical_name_systematic        '(Gd0.7 Y0.3) Ni'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.98
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   10.76
_cell_length_b                   4.194
_cell_length_c                   5.508
_cell_volume                     246.720
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Klepp_ACBCAR_1980_466.cif
_cod_data_source_block           Gd0.7Ni1Y0.3
_cod_original_cell_volume        246.7197
_cod_original_formula_sum        'Gd0.7 Ni1 Y0.3'
_cod_database_code               2106097
Fe B - Cr B stacking invariants in the system Gd Ni - Tb Ni
Klepp, K.; Parthe, E.; Acta Crystallographica B (24,1968-38,1982) 37 (1981) 495–499; doi:

data_2106098
_publ_section_title
;
 Fe B - Cr B stacking invariants in the system Gd Ni - Tb Ni
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              495
_journal_page_last               499
_journal_volume                  37
_journal_year                    1981
_chemical_formula_sum            'Gd0.2 Ni Tb0.8'
_chemical_name_systematic        '(Gd0.2 Tb0.8) Ni'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.3
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   10.67
_cell_length_b                   4.195
_cell_length_c                   5.475
_cell_volume                     243.078
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Klepp_ACBCAR_1981_463.cif
_cod_data_source_block           Gd0.2Ni1Tb0.8
_cod_original_cell_volume        243.0782
_cod_original_formula_sum        'Gd0.2 Ni1 Tb0.8'
_cod_database_code               2106098
Fe B - Cr B stacking variants in the system Gd Ni - Tb Ni
Klepp, K.; Parthe, E.; Acta Crystallographica B (24,1968-38,1982) 37 (1981) 495–499; doi:

data_2106099
_publ_section_title
;
 Fe B - Cr B stacking variants in the system Gd Ni - Tb Ni
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              495
_journal_page_last               499
_journal_volume                  37
_journal_year                    1981
_chemical_formula_sum            'Gd0.4 Ni Tb0.6'
_chemical_name_systematic        '(Gd0.4 Tb0.6) Ni'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.9
_cell_angle_gamma                90
_cell_formula_units_Z            18
_cell_length_a                   32.49
_cell_length_b                   4.226
_cell_length_c                   5.478
_cell_volume                     735.980
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Klepp_ACBCAR_1981_464.cif
_cod_data_source_block           Gd0.4Ni1Tb0.6
_cod_original_cell_volume        735.9801
_cod_original_formula_sum        'Gd0.4 Ni1 Tb0.6'
_cod_database_code               2106099
Critical temperatures of superconductivity and neutron diffraction studies at 293 and at 10 K of Mo-Ir single crystal of A15 structure
Koksbang, R.; Rasmussen, S.E.; Hazell, R.G.; Journal of Applied Crystallography 22 (1989) 23–25; doi:

data_2300515
_publ_section_title
;
 Critical temperatures of superconductivity and neutron diffraction
 studies at 293 and at 10 K of Mo-Ir single crystal of A15 structure
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              23
_journal_page_last               25
_journal_volume                  22
_journal_year                    1989
_chemical_formula_sum            'Ir0.94 Mo3.06'
_space_group_IT_number           223
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.958
_cell_length_b                   4.958
_cell_length_c                   4.958
_cell_volume                     121.876
_citation_journal_id_ASTM        JACGAR
_cod_data_source_file            Koksbang_JACGAR_1989_765.cif
_cod_data_source_block           Ir0.94Mo3.06
_cod_original_cell_volume        121.8764
_cod_database_code               2300515