LMucko/crystallography-open-database huggingface dataset:
Crystal structures of two isomorphs of arsenoclasite: Co5(PO4)2(OH)4 and Mn5(PO4)2(OH)4
Ruszala, F. A.; Anderson, J. B.; Kostiner, E.; Inorganic Chemistry 16 (1977) 2417–2422; doi:10.1021/ic50175a051

data_9009892
_publ_section_title
;
 Crystal structures of two isomorphs of arsenoclasite:
 Co5(PO4)2(OH)4 and Mn5(PO4)2(OH)4
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2417
_journal_page_last               2422
_journal_paper_doi               10.1021/ic50175a051
_journal_volume                  16
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H4 Mn5 O12 P2'
_chemical_name_mineral           Gatehouseite
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.110
_cell_length_b                   18.032
_cell_length_c                   5.6923
_cell_volume                     935.083
_database_code_amcsd             0012684
_exptl_crystal_density_diffrn    3.784
_cod_original_formula_sum        'Mn5 P2 O12 H4'
_cod_database_code               9009892
Crystal structures of two isomorphs of arsenoclasite: Co5(PO4)2(OH)4 and Mn5(PO4)2(OH)4 Locality: synthetic
Ruszala, F. A.; Anderson, J. B.; Kostiner, E.; Inorganic Chemistry 16 (1977) 2417–2422; doi:10.1021/ic50175a051

data_9009893
_publ_section_title
;Crystal structures of two isomorphs of arsenoclasite: Co5(PO4)2(OH)4 and
 Mn5(PO4)2(OH)4 Locality: synthetic
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2417
_journal_page_last               2422
_journal_paper_doi               10.1021/ic50175a051
_journal_volume                  16
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_structural     Co5(OH)4(PO4)2
_chemical_formula_sum            'Co5 H4 O12 P2'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.903
_cell_length_b                   17.3970
_cell_length_c                   5.5154
_cell_volume                     854.255
_database_code_amcsd             0012685
_exptl_crystal_density_diffrn    4.297
_cod_original_formula_sum        'Co5 P2 O12 H4'
_cod_database_code               9009893
_amcsd_formula_title             Co5(OH)4(PO4)2
Nonstoichiometric spinel ferrites obtained from alpha-NaFeO2 via molten media reactions
Moran, E.; Blesa, M. C.; Medina, M.-E.; Tornero, J. D.; Menendez, N.; Amado, U.; Inorganic Chemistry 41 (2002) 5961–5967; doi:10.1021/ic011302k

data_9009894
_publ_section_title
;
 Nonstoichiometric spinel ferrites obtained from alpha-NaFeO2
 via molten media reactions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5961
_journal_page_last               5967
_journal_paper_doi               10.1021/ic011302k
_journal_volume                  41
_journal_year                    2002
_chemical_compound_source        'Synthetic sample'
_chemical_formula_sum            'Fe1.92 O4 Zn1.08'
_chemical_name_mineral           Franklinite
_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_length_a                   8.443
_cell_length_b                   8.443
_cell_length_c                   8.443
_cell_formula_units_Z            8
_cell_volume                     601.853
_database_code_amcsd             0012723
_exptl_crystal_density_diffrn    5.338
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        '(Zn1.08 Fe1.92) O4'
_cod_database_code               9009894
On the system Ni-Se-Te Note: Phase A, sample 12
Rost, E.; Vestersjo, E.; Acta Chemica Scandinavica 22 (1968) 2118–2134; doi:10.3891/acta.chem.scand.22-2118

data_9009895
_publ_section_title
;
 On the system Ni-Se-Te
 Note: Phase A, sample 12
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              2118
_journal_page_last               2134
_journal_paper_doi               10.3891/acta.chem.scand.22-2118
_journal_volume                  22
_journal_year                    1968
_chemical_compound_source        Synthetic
_chemical_formula_structural     Ni3(SeTe)
_chemical_formula_sum            'Ni1.5 Se0.5 Te0.5'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.745
_cell_length_b                   3.745
_cell_length_c                   5.779
_cell_volume                     81.051
_database_code_amcsd             0011902
_exptl_crystal_density_diffrn    7.839
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Ni1.5 (Se.5 Te.5)'
_cod_database_code               9009895
_amcsd_formula_title             Ni3(SeTe)
On the system Ni-Se-Te Note: Phase A, sample 34
Rost, E.; Vestersjo, E.; Acta Chemica Scandinavica 22 (1968) 2118–2134; doi:10.3891/acta.chem.scand.22-2118

data_9009896
_publ_section_title
;
 On the system Ni-Se-Te
 Note: Phase A, sample 34
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              2118
_journal_page_last               2134
_journal_paper_doi               10.3891/acta.chem.scand.22-2118
_journal_volume                  22
_journal_year                    1968
_chemical_compound_source        Synthetic
_chemical_formula_structural     Ni2.8(SeTe)
_chemical_formula_sum            'Ni1.4 Se0.5 Te0.5'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.734
_cell_length_b                   3.734
_cell_length_c                   5.757
_cell_volume                     80.268
_database_code_amcsd             0011903
_exptl_crystal_density_diffrn    7.673
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Ni1.4 (Se.5 Te.5)'
_cod_database_code               9009896
_amcsd_formula_title             Ni2.8(SeTe)
On the system Ni-Se-Te Note: Phase F, sample 83
Rost, E.; Vestersjo, E.; Acta Chemica Scandinavica 22 (1968) 2118–2134; doi:10.3891/acta.chem.scand.22-2118

data_9009897
_publ_section_title
;
 On the system Ni-Se-Te
 Note: Phase F, sample 83
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              2118
_journal_page_last               2134
_journal_paper_doi               10.3891/acta.chem.scand.22-2118
_journal_volume                  22
_journal_year                    1968
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ni0.99 Se1.01'
_chemical_name_mineral           Sederholmite
_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                   3.661
_cell_length_b                   3.661
_cell_length_c                   5.356
_cell_volume                     62.169
_database_code_amcsd             0011904
_exptl_crystal_density_diffrn    7.364
_cod_original_formula_sum        'Ni.99 Se1.01'
_cod_database_code               9009897
On the system Ni-Se-Te Note: Phase F, sample 84
Rost, E.; Vestersjo, E.; Acta Chemica Scandinavica 22 (1968) 2118–2134; doi:10.3891/acta.chem.scand.22-2118

data_9009898
_publ_section_title
;
 On the system Ni-Se-Te
 Note: Phase F, sample 84
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              2118
_journal_page_last               2134
_journal_paper_doi               10.3891/acta.chem.scand.22-2118
_journal_volume                  22
_journal_year                    1968
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ni0.984 Se0.816 Te0.2'
_chemical_name_mineral           Sederholmite
_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                   3.722
_cell_length_b                   3.722
_cell_length_c                   5.350
_cell_volume                     64.186
_database_code_amcsd             0011905
_exptl_crystal_density_diffrn    7.642
_cod_original_formula_sum        'Ni.984 Se.816 Te.2'
_cod_database_code               9009898
On the system Ni-Se-Te Note: Phase F, sample 86
Rost, E.; Vestersjo, E.; Acta Chemica Scandinavica 22 (1968) 2118–2134; doi:10.3891/acta.chem.scand.22-2118

data_9009899
_publ_section_title
;
 On the system Ni-Se-Te
 Note: Phase F, sample 86
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              2118
_journal_page_last               2134
_journal_paper_doi               10.3891/acta.chem.scand.22-2118
_journal_volume                  22
_journal_year                    1968
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ni0.976 Se0.624 Te0.4'
_chemical_name_mineral           Sederholmite
_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                   3.784
_cell_length_b                   3.784
_cell_length_c                   5.350
_cell_volume                     66.342
_database_code_amcsd             0011906
_exptl_crystal_density_diffrn    7.889
_cod_original_formula_sum        'Ni.976 Se.624 Te.4'
_cod_database_code               9009899
On the system Ni-Se-Te Note: Phase F, sample 85
Rost, E.; Vestersjo, E.; Acta Chemica Scandinavica 22 (1968) 2118–2134; doi:10.3891/acta.chem.scand.22-2118

data_9009900
_publ_section_title
;
 On the system Ni-Se-Te
 Note: Phase F, sample 85
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              2118
_journal_page_last               2134
_journal_paper_doi               10.3891/acta.chem.scand.22-2118
_journal_volume                  22
_journal_year                    1968
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ni0.98 Se0.51 Te0.51'
_chemical_name_mineral           Sederholmite
_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                   3.822
_cell_length_b                   3.822
_cell_length_c                   5.350
_cell_volume                     67.681
_database_code_amcsd             0011907
_exptl_crystal_density_diffrn    7.992
_cod_original_formula_sum        'Ni.98 Se.51 Te.51'
_cod_database_code               9009900
On the system Ni-Se-Te Note: Phase F, sample 87
Rost, E.; Vestersjo, E.; Acta Chemica Scandinavica 22 (1968) 2118–2134; doi:10.3891/acta.chem.scand.22-2118

data_9009901
_publ_section_title
;
 On the system Ni-Se-Te
 Note: Phase F, sample 87
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              2118
_journal_page_last               2134
_journal_paper_doi               10.3891/acta.chem.scand.22-2118
_journal_volume                  22
_journal_year                    1968
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ni0.966 Se0.4 Te0.634'
_chemical_name_mineral           Imgreite
_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                   3.854
_cell_length_b                   3.854
_cell_length_c                   5.350
_cell_volume                     68.819
_database_code_amcsd             0011908
_exptl_crystal_density_diffrn    8.164
_cod_original_formula_sum        'Ni.966 Se.4 Te.634'
_cod_database_code               9009901
On the system Ni-Se-Te Note: Phase F, sample 89
Rost, E.; Vestersjo, E.; Acta Chemica Scandinavica 22 (1968) 2118–2134; doi:10.3891/acta.chem.scand.22-2118

data_9009902
_publ_section_title
;
 On the system Ni-Se-Te
 Note: Phase F, sample 89
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              2118
_journal_page_last               2134
_journal_paper_doi               10.3891/acta.chem.scand.22-2118
_journal_volume                  22
_journal_year                    1968
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ni0.96 Se0.2 Te0.84'
_chemical_name_mineral           Imgreite
_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                   3.909
_cell_length_b                   3.909
_cell_length_c                   5.350
_cell_volume                     70.797
_database_code_amcsd             0011909
_exptl_crystal_density_diffrn    8.412
_cod_original_formula_sum        'Ni.96 Se.2 Te.84'
_cod_database_code               9009902
On the system Ni-Se-Te Note: Phase F, sample 90
Rost, E.; Vestersjo, E.; Acta Chemica Scandinavica 22 (1968) 2118–2134; doi:10.3891/acta.chem.scand.22-2118

data_9009903
_publ_section_title
;
 On the system Ni-Se-Te
 Note: Phase F, sample 90
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              2118
_journal_page_last               2134
_journal_paper_doi               10.3891/acta.chem.scand.22-2118
_journal_volume                  22
_journal_year                    1968
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ni0.958 Te1.042'
_chemical_name_mineral           Imgreite
_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                   3.969
_cell_length_b                   3.969
_cell_length_c                   5.358
_cell_volume                     73.096
_database_code_amcsd             0011910
_exptl_crystal_density_diffrn    8.595
_cod_original_formula_sum        'Ni.958 Te1.042'
_cod_database_code               9009903
The crystal structure of terlinguaite Hg4O2Cl2
Aurivillius, K.; Folkmarson, L.; Acta Chemica Scandinavica 22 (1968) 2529–2540; doi:10.3891/acta.chem.scand.22-2529

data_9009904
_publ_section_title
;
 The crystal structure of terlinguaite Hg4O2Cl2
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              2529
_journal_page_last               2540
_journal_paper_doi               10.3891/acta.chem.scand.22-2529
_journal_volume                  22
_journal_year                    1968
_chemical_compound_source        'Terlingua, Texas, USA'
_chemical_formula_sum            'Cl Hg2 O'
_chemical_name_mineral           Terlinguaite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 143.81
_cell_angle_gamma                90
_cell_length_a                   19.515
_cell_length_b                   5.915
_cell_length_c                   9.478
_cell_formula_units_Z            8
_cell_volume                     646.002
_database_code_amcsd             0011911
_exptl_crystal_density_diffrn    9.308
_cod_original_formula_sum        'Hg2 O Cl'
_cod_database_code               9009904
Crystal structure refinement of Cr3C2 Note: values obtained from intensities recorded photographically
Rundqvist, S.; Runnsjo, G.; Acta Chemica Scandinavica 23 (1969) 1191–1199; doi:10.3891/acta.chem.scand.23-1191

data_9009905
_publ_section_title
;
 Crystal structure refinement of Cr3C2
 Note: values obtained from intensities recorded photographically
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1191
_journal_page_last               1199
_journal_paper_doi               10.3891/acta.chem.scand.23-1191
_journal_volume                  23
_journal_year                    1969
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C2 Cr3'
_chemical_name_mineral           Tongbaite
_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_length_a                   5.5329
_cell_length_b                   2.8290
_cell_length_c                   11.4719
_cell_formula_units_Z            4
_cell_volume                     179.565
_database_code_amcsd             0011913
_exptl_crystal_density_diffrn    6.659
_cod_original_formula_sum        'Cr3 C2'
_cod_database_code               9009905
Crystal structure refinement of Cr3C2 Note: values obtained from intensities measured with scintillation counter
Rundqvist, S.; Runnsjo, G.; Acta Chemica Scandinavica 23 (1969) 1191–1199; doi:10.3891/acta.chem.scand.23-1191

data_9009906
_publ_section_title
;
 Crystal structure refinement of Cr3C2
 Note: values obtained from intensities measured with scintillation counter
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              1191
_journal_page_last               1199
_journal_paper_doi               10.3891/acta.chem.scand.23-1191
_journal_volume                  23
_journal_year                    1969
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C2 Cr3'
_chemical_name_mineral           Tongbaite
_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_length_a                   5.5329
_cell_length_b                   2.8290
_cell_length_c                   11.4719
_cell_formula_units_Z            4
_cell_volume                     179.565
_database_code_amcsd             0011914
_exptl_crystal_density_diffrn    6.659
_cod_original_formula_sum        'Cr3 C2'
_cod_database_code               9009906
On the properties of binary compounds with the CoSb2 type crystal structure
Kjekshus, A.; Acta Chemica Scandinavica 25 (1971) 411–422; doi:10.3891/acta.chem.scand.25-0411

data_9009907
_publ_section_title
;
 On the properties of binary compounds
 with the CoSb2 type crystal structure
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              411
_journal_page_last               422
_journal_paper_doi               10.3891/acta.chem.scand.25-0411
_journal_volume                  25
_journal_year                    1971
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As2 Ir'
_chemical_name_mineral           Iridarsenite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.197
_cell_angle_gamma                90
_cell_length_a                   6.0549
_cell_length_b                   6.0717
_cell_length_c                   6.1587
_cell_formula_units_Z            4
_cell_volume                     208.111
_database_code_amcsd             0011926
_exptl_crystal_density_diffrn    10.917
_cod_original_formula_sum        'Ir As2'
_cod_database_code               9009907
On the properties of binary compounds with the CoSb2 type crystal structure
Kjekshus, A.; Acta Chemica Scandinavica 25 (1971) 411–422; doi:10.3891/acta.chem.scand.25-0411

data_9009908
_publ_section_title
;
 On the properties of binary compounds
 with the CoSb2 type crystal structure
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              411
_journal_page_last               422
_journal_paper_doi               10.3891/acta.chem.scand.25-0411
_journal_volume                  25
_journal_year                    1971
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As2 Co'
_chemical_name_mineral           Clinosafflorite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.432
_cell_angle_gamma                90
_cell_length_a                   5.9106
_cell_length_b                   5.8680
_cell_length_c                   5.9587
_cell_formula_units_Z            4
_cell_volume                     185.064
_database_code_amcsd             0011927
_exptl_crystal_density_diffrn    7.493
_cod_original_formula_sum        'Co As2'
_cod_database_code               9009908
On the crystal structures of CuTeO3 and CuTe2O5
Lindqvist, O.; Acta Chemica Scandinavica 25 (1971) 740–740; doi:10.3891/acta.chem.scand.25-0740

data_9009909
_publ_section_title
;
 On the crystal structures of CuTeO3 and CuTe2O5
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              740
_journal_page_last               740
_journal_paper_doi               10.3891/acta.chem.scand.25-0740
_journal_volume                  25
_journal_year                    1971
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu O3 Te'
_chemical_name_mineral           Balyakinite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.604
_cell_length_b                   5.837
_cell_length_c                   12.705
_cell_formula_units_Z            8
_cell_volume                     563.906
_database_code_amcsd             0011928
_exptl_crystal_density_diffrn    5.634
_cod_original_formula_sum        'Te Cu O3'
_cod_database_code               9009909