LMucko/crystallography-open-database huggingface dataset:
Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Sample: FeSb2
Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F.; Acta Chemica Scandinavica A 33 (1979) 469–480; doi:

data_9012580
_publ_section_title
;
 Compounds with the marcasite type crystal structure. XIII. Structural and
 magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2
 Sample: FeSb2
;
_journal_name_full               'Acta Chemica Scandinavica A'
_journal_page_first              469
_journal_page_last               480
_journal_volume                  33
_journal_year                    1979
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe Sb2'
_chemical_name_mineral           Seinajokite
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.8328
_cell_formula_units_Z            2
_cell_length_b                   6.7356
_cell_length_c                   3.1973
_cell_volume                     125.614
_database_code_amcsd             0011965
_exptl_crystal_density_diffrn    7.914
_cod_database_code               9012580
Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Sample: Fe.75Ni.25Sb2
Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F.; Acta Chemica Scandinavica A 33 (1979) 469–480; doi:

data_9012581
_publ_section_title
;
 Compounds with the marcasite type crystal structure. XIII. Structural and
 magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2
 Sample: Fe.75Ni.25Sb2
;
_journal_name_full               'Acta Chemica Scandinavica A'
_journal_page_first              469
_journal_page_last               480
_journal_volume                  33
_journal_year                    1979
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe0.75 Ni0.25 Sb2'
_chemical_name_mineral           Seinajokite
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.7535
_cell_formula_units_Z            2
_cell_length_b                   6.4928
_cell_length_c                   3.2681
_cell_volume                     122.084
_database_code_amcsd             0011966
_exptl_crystal_density_diffrn    8.163
_cod_original_formula_sum        '(Fe.75 Ni.25) Sb2'
_cod_database_code               9012581
Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Sample: Fe.5Ni.5Sb2
Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F.; Acta Chemica Scandinavica A 33 (1979) 469–480; doi:

data_9012582
_publ_section_title
;
 Compounds with the marcasite type crystal structure. XIII. Structural and
 magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2
 Sample: Fe.5Ni.5Sb2
;
_journal_name_full               'Acta Chemica Scandinavica A'
_journal_page_first              469
_journal_page_last               480
_journal_volume                  33
_journal_year                    1979
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe0.5 Ni0.5 Sb2'
_chemical_name_mineral           Seinajokite
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.6417
_cell_formula_units_Z            2
_cell_length_b                   6.4402
_cell_length_c                   3.3855
_cell_volume                     123.008
_database_code_amcsd             0011967
_exptl_crystal_density_diffrn    8.120
_cod_original_formula_sum        '(Fe.5 Ni.5) Sb2'
_cod_database_code               9012582
Compounds with the marcasite type crystal structure. XIII. Structural and magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2 Sample: NiSb2
Kjekshus, A.; Peterzens, P. G.; Rakke, T.; Andresen, A. F.; Acta Chemica Scandinavica A 33 (1979) 469–480; doi:

data_9012583
_publ_section_title
;
 Compounds with the marcasite type crystal structure. XIII. Structural and
 magnetic properties of CrtFe1-tAs2, CrtFe1-tSb2, Fe1-tNitAs2 and Fe1-tNitSb2
 Sample: NiSb2
;
_journal_name_full               'Acta Chemica Scandinavica A'
_journal_page_first              469
_journal_page_last               480
_journal_volume                  33
_journal_year                    1979
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ni Sb2'
_chemical_name_mineral           Nisbite
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.1837
_cell_formula_units_Z            2
_cell_length_b                   6.3184
_cell_length_c                   3.4808
_cell_volume                     114.006
_database_code_amcsd             0011968
_exptl_crystal_density_diffrn    8.803
_cod_database_code               9012583
On the structural and magnetic properties of Co1-tNitAs and CoAs1-xSbx
Fjellvag, H.; Selte, K.; Stave, F. E.; Acta Chemica Scandinavica A 38 (1984) 687–691; doi:

data_9012584
_publ_section_title
;
 On the structural and magnetic properties of Co1-tNitAs and CoAs1-xSbx
;
_journal_name_full               'Acta Chemica Scandinavica A'
_journal_page_first              687
_journal_page_last               691
_journal_volume                  38
_journal_year                    1984
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As Co0.9 Ni0.1'
_chemical_name_mineral           Langisite
_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                   5.16
_cell_length_b                   3.54
_cell_length_c                   5.87
_cell_formula_units_Z            4
_cell_volume                     107.224
_database_code_amcsd             0011970
_exptl_crystal_density_diffrn    8.290
_cod_original_formula_sum        '(Co.9 Ni.1) As'
_cod_database_code               9012584
On the structural and magnetic properties of Co1-tNitAs and CoAs1-xSbx
Fjellvag, H.; Selte, K.; Stave, F. E.; Acta Chemica Scandinavica A 38 (1984) 687–691; doi:

data_9012585
_publ_section_title
;
 On the structural and magnetic properties of Co1-tNitAs and CoAs1-xSbx
;
_journal_name_full               'Acta Chemica Scandinavica A'
_journal_page_first              687
_journal_page_last               691
_journal_volume                  38
_journal_year                    1984
_chemical_formula_structural     CoAs.95Sb.05
_chemical_formula_sum            'As0.95 Co Sb0.05'
_chemical_name_mineral           Langisite
_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                   5.16
_cell_length_b                   3.54
_cell_length_c                   5.87
_cell_formula_units_Z            4
_cell_volume                     107.224
_database_code_amcsd             0011969
_exptl_crystal_density_diffrn    8.437
_cod_original_formula_sum        'Co (As.95 Sb.05)'
_cod_database_code               9012585
The structure of the mineral chestermanite, Mg2.25Al0.16Fe0.43Ti0.02Sb0.13O2BO3. A combined single-crystal X-ray and HREM study
Alfredsson, V.; Bovin, J. O.; Norrestam, R.; Terasaki, O.; Acta Chemica Scandinavica 45 (1991) 797–804; doi:10.3891/acta.chem.scand.45-0797

data_9012586
_publ_section_title
;The structure of the mineral chestermanite,
 Mg2.25Al0.16Fe0.43Ti0.02Sb0.13O2BO3. A combined single-crystal X-ray and HREM
 study
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              797
_journal_page_last               804
_journal_paper_doi               10.3891/acta.chem.scand.45-0797
_journal_volume                  45
_journal_year                    1991
_chemical_formula_sum
'Al0.66 B4 Fe1.475 Mg9.314 O20 Sb0.482 Ti0.069'
_chemical_name_mineral           Chestermanite
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.5250
_cell_length_b                   12.272
_cell_length_c                   3.0218
_cell_formula_units_Z            2
_cell_volume                     686.972
_database_code_amcsd             0011934
_exptl_crystal_density_diffrn    3.634
_cod_original_formula_sum        'Mg9.314 Al.66 Fe1.475 Ti.069 Sb.482 B4 O20'
_cod_database_code               9012586
Crystal structure of orthorhombic CaTa2O6
Jahnberg, L.; Acta Chemica Scandinavica 17 (1963) 2548–2559; doi:10.3891/acta.chem.scand.17-2548

data_9012587
_publ_section_title
;
 Crystal structure of orthorhombic CaTa2O6
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              2548
_journal_page_last               2559
_journal_paper_doi               10.3891/acta.chem.scand.17-2548
_journal_volume                  17
_journal_year                    1963
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca O6 Ta2'
_chemical_name_mineral           Rynersonite
_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                   11.068
_cell_length_b                   7.505
_cell_length_c                   5.378
_cell_formula_units_Z            4
_cell_volume                     446.725
_database_code_amcsd             0011896
_exptl_crystal_density_diffrn    7.404
_cod_original_formula_sum        'Ca Ta2 O6'
_cod_database_code               9012587
Calculated X-ray diffraction data for diamond polytypes Note: cubic, 3C structure Note: theoretically calculated structure values
Ownby, P. D.; Yang, X.; Liu, J.; Journal of the American Ceramic Society 75 (1992) 1876–1883; doi:10.1111/j.1151-2916.1992.tb07211.x

data_9012588
_publ_section_title
;
 Calculated X-ray diffraction data for diamond polytypes
 Note: cubic, 3C structure
 Note: theoretically calculated structure values
;
_journal_name_full               'Journal of the American Ceramic Society'
_journal_page_first              1876
_journal_page_last               1883
_journal_paper_doi               10.1111/j.1151-2916.1992.tb07211.x
_journal_volume                  75
_journal_year                    1992
_chemical_formula_sum            C
_chemical_name_common            Carbon
_chemical_name_mineral           Carbon
_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                   3.5667
_cell_length_b                   3.5667
_cell_length_c                   3.5667
_cell_formula_units_Z            8
_cell_volume                     45.373
_database_code_amcsd             0014065
_exptl_crystal_density_diffrn    3.517
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9012588
Calculated X-ray diffraction data for diamond polytypes Note: hexagonal, 2H structure known as lonsdaleite Note: theoretically calculated structure values
Ownby, P. D.; Yang, X.; Liu, J.; Journal of the American Ceramic Society 75 (1992) 1876–1883; doi:10.1111/j.1151-2916.1992.tb07211.x

data_9012589
_publ_section_title
;
 Calculated X-ray diffraction data for diamond polytypes
 Note: hexagonal, 2H structure known as lonsdaleite
 Note: theoretically calculated structure values
;
_journal_name_full               'Journal of the American Ceramic Society'
_journal_page_first              1876
_journal_page_last               1883
_journal_paper_doi               10.1111/j.1151-2916.1992.tb07211.x
_journal_volume                  75
_journal_year                    1992
_chemical_formula_sum            C
_chemical_name_common            Carbon
_chemical_name_mineral           Carbon
_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_length_a                   2.5221
_cell_length_b                   2.5221
_cell_length_c                   4.1186
_cell_formula_units_Z            4
_cell_volume                     22.688
_database_code_amcsd             0014066
_exptl_crystal_density_diffrn    3.516
_cod_database_code               9012589
Calculated X-ray diffraction data for diamond polytypes Note: hexagonal, 4H structure Note: theoretically calculated structure values
Ownby, P. D.; Yang, X.; Liu, J.; Journal of the American Ceramic Society 75 (1992) 1876–1883; doi:10.1111/j.1151-2916.1992.tb07211.x

data_9012590
_publ_section_title
;
 Calculated X-ray diffraction data for diamond polytypes
 Note: hexagonal, 4H structure
 Note: theoretically calculated structure values
;
_journal_name_full               'Journal of the American Ceramic Society'
_journal_page_first              1876
_journal_page_last               1883
_journal_paper_doi               10.1111/j.1151-2916.1992.tb07211.x
_journal_volume                  75
_journal_year                    1992
_chemical_formula_sum            C
_chemical_name_common            Carbon
_chemical_name_mineral           Carbon
_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_length_a                   2.5221
_cell_length_b                   2.5221
_cell_length_c                   8.2371
_cell_formula_units_Z            8
_cell_volume                     45.376
_database_code_amcsd             0014067
_exptl_crystal_density_diffrn    3.516
_cod_database_code               9012590
Calculated X-ray diffraction data for diamond polytypes Note: hexagonal, 6H structure Note: theoretically calculated structure values
Ownby, P. D.; Yang, X.; Liu, J.; Journal of the American Ceramic Society 75 (1992) 1876–1883; doi:10.1111/j.1151-2916.1992.tb07211.x

data_9012591
_publ_section_title
;
 Calculated X-ray diffraction data for diamond polytypes
 Note: hexagonal, 6H structure
 Note: theoretically calculated structure values
;
_journal_name_full               'Journal of the American Ceramic Society'
_journal_page_first              1876
_journal_page_last               1883
_journal_paper_doi               10.1111/j.1151-2916.1992.tb07211.x
_journal_volume                  75
_journal_year                    1992
_chemical_formula_sum            C
_chemical_name_common            Carbon
_chemical_name_mineral           Carbon
_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_length_a                   2.5221
_cell_length_b                   2.5221
_cell_length_c                   12.3557
_cell_formula_units_Z            12
_cell_volume                     68.065
_database_code_amcsd             0014068
_exptl_crystal_density_diffrn    3.516
_cod_database_code               9012591
Calculated X-ray diffraction data for diamond polytypes Note: hexagonal, 8H structure Note: theoretically calculated structure values
Ownby, P. D.; Yang, X.; Liu, J.; Journal of the American Ceramic Society 75 (1992) 1876–1883; doi:10.1111/j.1151-2916.1992.tb07211.x

data_9012592
_publ_section_title
;
 Calculated X-ray diffraction data for diamond polytypes
 Note: hexagonal, 8H structure
 Note: theoretically calculated structure values
;
_journal_name_full               'Journal of the American Ceramic Society'
_journal_page_first              1876
_journal_page_last               1883
_journal_paper_doi               10.1111/j.1151-2916.1992.tb07211.x
_journal_volume                  75
_journal_year                    1992
_chemical_formula_sum            C
_chemical_name_common            Carbon
_chemical_name_mineral           Carbon
_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_length_a                   2.5221
_cell_length_b                   2.5221
_cell_length_c                   16.4743
_cell_formula_units_Z            16
_cell_volume                     90.753
_database_code_amcsd             0014069
_exptl_crystal_density_diffrn    3.516
_cod_database_code               9012592
Calculated X-ray diffraction data for diamond polytypes Note: rhombohedral, 15R structure Note: theoretically calculated structure values
Ownby, P. D.; Yang, X.; Liu, J.; Journal of the American Ceramic Society 75 (1992) 1876–1883; doi:10.1111/j.1151-2916.1992.tb07211.x

data_9012593
_publ_section_title
;
 Calculated X-ray diffraction data for diamond polytypes
 Note: rhombohedral, 15R structure
 Note: theoretically calculated structure values
;
_journal_name_full               'Journal of the American Ceramic Society'
_journal_page_first              1876
_journal_page_last               1883
_journal_paper_doi               10.1111/j.1151-2916.1992.tb07211.x
_journal_volume                  75
_journal_year                    1992
_chemical_formula_sum            C
_chemical_name_common            Carbon
_chemical_name_mineral           Carbon
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   2.5221
_cell_length_b                   2.5221
_cell_length_c                   30.8893
_cell_formula_units_Z            30
_cell_volume                     170.162
_database_code_amcsd             0014070
_exptl_crystal_density_diffrn    3.516
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               9012593
Calculated X-ray diffraction data for diamond polytypes Note: rhombohedral, 21R structure Note: theoretically calculated structure values
Ownby, P. D.; Yang, X.; Liu, J.; Journal of the American Ceramic Society 75 (1992) 1876–1883; doi:10.1111/j.1151-2916.1992.tb07211.x

data_9012594
_publ_section_title
;
 Calculated X-ray diffraction data for diamond polytypes
 Note: rhombohedral, 21R structure
 Note: theoretically calculated structure values
;
_journal_name_full               'Journal of the American Ceramic Society'
_journal_page_first              1876
_journal_page_last               1883
_journal_paper_doi               10.1111/j.1151-2916.1992.tb07211.x
_journal_volume                  75
_journal_year                    1992
_chemical_formula_sum            C
_chemical_name_common            Carbon
_chemical_name_mineral           Carbon
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   2.5221
_cell_length_b                   2.5221
_cell_length_c                   43.2450
_cell_formula_units_Z            42
_cell_volume                     238.227
_database_code_amcsd             0014071
_exptl_crystal_density_diffrn    3.516
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               9012594
X-ray structure determination of PbBi4Te7
Zhukova, T. B.; Zaslavskii, A. I.; Zhurnal Strukturnoi Khimii 11 (1970) 462–468; doi:

data_9012595
_publ_section_title
;
 X-ray structure determination of PbBi4Te7
;
_journal_name_full               'Zhurnal Strukturnoi Khimii'
_journal_page_first              462
_journal_page_last               468
_journal_volume                  11
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi2.28 Pb0.57 Te4'
_chemical_name_mineral           Rucklidgeite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.45
_cell_length_b                   4.45
_cell_length_c                   41.532
_cell_formula_units_Z            3
_cell_volume                     712.252
_database_code_amcsd             0015894
_exptl_crystal_density_diffrn    7.728
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Pb.57 Bi2.28 Te4'
_cod_database_code               9012595
Crystal structure of baylissite, K2Mg(CO3)2,4H2O
Bucat, R. B.; Patrick, J. M.; White, A. H.; Willis, A. C.; Australian Journal of Chemistry 30 (1977) 1379–1382; doi:10.1071/CH9771379

data_9012596
_publ_section_title
;
 Crystal structure of baylissite, K2Mg(CO3)2,4H2O
;
_journal_name_full               'Australian Journal of Chemistry'
_journal_page_first              1379
_journal_page_last               1382
_journal_paper_doi               10.1071/CH9771379
_journal_volume                  30
_journal_year                    1977
_chemical_formula_sum            'C2 H8 K2 Mg O10'
_chemical_name_mineral           Baylissite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.66
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.404
_cell_length_b                   6.228
_cell_length_c                   6.826
_cell_volume                     477.936
_database_code_amcsd             0012056
_exptl_crystal_density_diffrn    2.047
_cod_original_formula_sum        'K2 Mg C2 O10 H8'
_cod_database_code               9012596