LMucko/crystallography-open-database huggingface dataset:
High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 294 K, P = 0.0001 GPa
King, Jr, H. E.; Prewitt, C. T.; Acta Crystallographica, Section B 38 (1982) 1877–1887; doi:10.1107/S0567740882007523

data_9007650
_publ_section_title
;
 High-pressure and high-temperature polymorphism of iron sulfides (FeS)
 Sample: T = 294 K, P = 0.0001 GPa
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1877
_journal_page_last               1887
_journal_paper_doi               10.1107/S0567740882007523
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'Fe S'
_chemical_name_mineral           Troilite
_space_group_IT_number           190
_symmetry_space_group_name_Hall  'P -6c -2c'
_symmetry_space_group_name_H-M   'P -6 2 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.963
_cell_length_b                   5.963
_cell_length_c                   11.754
_cell_formula_units_Z            12
_cell_volume                     361.948
_database_code_amcsd             0009769
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      294
_exptl_crystal_density_diffrn    4.840
_cod_database_code               9007650
High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 393 K, P = 0.0001 GPa
King, Jr, H. E.; Prewitt, C. T.; Acta Crystallographica, Section B 38 (1982) 1877–1887; doi:10.1107/S0567740882007523s

data_9007651
_publ_section_title
;
 High-pressure and high-temperature polymorphism of iron sulfides (FeS)
 Sample: T = 393 K, P = 0.0001 GPa
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1877
_journal_page_last               1887
_journal_paper_doi               10.1107/S0567740882007523s
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'Fe S'
_chemical_name_mineral           Troilite
_space_group_IT_number           190
_symmetry_space_group_name_Hall  'P -6c -2c'
_symmetry_space_group_name_H-M   'P -6 2 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.999
_cell_length_b                   5.999
_cell_length_c                   11.71
_cell_formula_units_Z            12
_cell_volume                     364.960
_database_code_amcsd             0009770
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      393
_exptl_crystal_density_diffrn    4.800
_cod_database_code               9007651
High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 294 K, P = 3.33 GPa
King, Jr, H. E.; Prewitt, C. T.; Acta Crystallographica, Section B 38 (1982) 1877–1887; doi:10.1107/S0567740882007523

data_9007652
_publ_section_title
;
 High-pressure and high-temperature polymorphism of iron sulfides (FeS)
 Sample: T = 294 K, P = 3.33 GPa
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1877
_journal_page_last               1887
_journal_paper_doi               10.1107/S0567740882007523
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'Fe S'
_chemical_name_mineral           Troilite
_space_group_IT_number           190
_symmetry_space_group_name_Hall  'P -6c -2c'
_symmetry_space_group_name_H-M   'P -6 2 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.861
_cell_length_b                   5.861
_cell_length_c                   11.577
_cell_formula_units_Z            12
_cell_volume                     344.406
_database_code_amcsd             0009771
_diffrn_ambient_pressure         3.33e+06
_diffrn_ambient_temperature      294
_exptl_crystal_density_diffrn    5.086
_cod_database_code               9007652
High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 463 K, P = 0.0001 GPa, MnP-type structure
King, Jr, H. E.; Prewitt, C. T.; Acta Crystallographica, Section B 38 (1982) 1877–1887; doi:10.1107/S0567740882007523

data_9007653
_publ_section_title
;
 High-pressure and high-temperature polymorphism of iron sulfides (FeS)
 Sample: T = 463 K, P = 0.0001 GPa, MnP-type structure
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1877
_journal_page_last               1887
_journal_paper_doi               10.1107/S0567740882007523
_journal_volume                  38
_journal_year                    1982
_chemical_formula_structural     FeS
_chemical_formula_sum            'Fe S'
_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                   5.825
_cell_length_b                   3.4675
_cell_length_c                   6.0059
_cell_formula_units_Z            4
_cell_volume                     121.308
_database_code_amcsd             0009772
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      463
_exptl_crystal_density_diffrn    4.814
_cod_database_code               9007653
_amcsd_formula_title             FeS
High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 294 K, P = 4.15 GPa, MnP-type structure Note: a cell edge altered from value reported
King, Jr, H. E.; Prewitt, C. T.; Acta Crystallographica, Section B 38 (1982) 1877–1887; doi:10.1107/S0567740882007523

data_9007654
_publ_section_title
;
 High-pressure and high-temperature polymorphism of iron sulfides (FeS)
 Sample: T = 294 K, P = 4.15 GPa, MnP-type structure
 Note: a cell edge altered from value reported
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1877
_journal_page_last               1887
_journal_paper_doi               10.1107/S0567740882007523
_journal_volume                  38
_journal_year                    1982
_chemical_formula_structural     FeS
_chemical_formula_sum            'Fe S'
_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                   5.716
_cell_length_b                   3.347
_cell_length_c                   5.797
_cell_formula_units_Z            4
_cell_volume                     110.905
_database_code_amcsd             0009773
_diffrn_ambient_pressure         4.15e+06
_diffrn_ambient_temperature      294
_exptl_crystal_density_diffrn    5.265
_cod_database_code               9007654
_amcsd_formula_title             FeS
High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 294 K, P = 6.35 GPa, MnP-type structure
King, Jr, H. E.; Prewitt, C. T.; Acta Crystallographica, Section B 38 (1982) 1877–1887; doi:10.1107/S0567740882007523

data_9007655
_publ_section_title
;
 High-pressure and high-temperature polymorphism of iron sulfides (FeS)
 Sample: T = 294 K, P = 6.35 GPa, MnP-type structure
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1877
_journal_page_last               1887
_journal_paper_doi               10.1107/S0567740882007523
_journal_volume                  38
_journal_year                    1982
_chemical_formula_structural     FeS
_chemical_formula_sum            'Fe S'
_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                   5.65
_cell_length_b                   3.3155
_cell_length_c                   5.7426
_cell_formula_units_Z            4
_cell_volume                     107.574
_database_code_amcsd             0009774
_diffrn_ambient_pressure         6.35e+06
_diffrn_ambient_temperature      294
_exptl_crystal_density_diffrn    5.428
_cod_database_code               9007655
_amcsd_formula_title             FeS
Neutron diffraction study of sodium sesquicarbonate dihydrate Note: H3 disordered model, this is the prefered model
Choi, C. S.; Mighell, A. D.; Acta Crystallographica, Section B 38 (1982) 2874–2876; doi:10.1107/S0567740882010164

data_9007656
_publ_section_title
;
 Neutron diffraction study of sodium sesquicarbonate dihydrate
 Note: H3 disordered model, this is the prefered model
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2874
_journal_page_last               2876
_journal_paper_doi               10.1107/S0567740882010164
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'C2 H5 Na3 O8'
_chemical_name_mineral           Trona
_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                 106.48
_cell_angle_gamma                90
_cell_length_a                   20.36
_cell_length_b                   3.48
_cell_length_c                   10.29
_cell_formula_units_Z            4
_cell_volume                     699.124
_database_code_amcsd             0009779
_exptl_crystal_density_diffrn    2.147
_cod_original_formula_sum        'Na3 C2 O8 H5'
_cod_database_code               9007656
Neutron diffraction study of sodium sesquicarbonate dihydrate Note: H3 ordered model, this is least favoured
Choi, C. S.; Mighell, A. D.; Acta Crystallographica, Section B 38 (1982) 2874–2876; doi:10.1107/S0567740882010164

data_9007657
_publ_section_title
;
 Neutron diffraction study of sodium sesquicarbonate dihydrate
 Note: H3 ordered model, this is least favoured
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2874
_journal_page_last               2876
_journal_paper_doi               10.1107/S0567740882010164
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'C2 H5 Na3 O8'
_chemical_name_mineral           Trona
_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                 106.48
_cell_angle_gamma                90
_cell_length_a                   20.36
_cell_length_b                   3.48
_cell_length_c                   10.29
_cell_formula_units_Z            4
_cell_volume                     699.124
_database_code_amcsd             0009780
_exptl_crystal_density_diffrn    2.147
_cod_original_formula_sum        'Na3 C2 O8 H5'
_cod_database_code               9007657
Probertite, CaNa[B5O7(OH)4]*3H2O: a refinement
Menchetti, S.; Sabelli, C.; Trosti-Ferroni R; Acta Crystallographica, Section B 38 (1982) 3072–3075; doi:10.1107/S0567740882010851

data_9007658
_publ_section_title
;
 Probertite, CaNa[B5O7(OH)4]*3H2O: a refinement
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3072
_journal_page_last               3075
_journal_paper_doi               10.1107/S0567740882010851
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'B5 Ca H10 Na O14'
_chemical_name_mineral           Probertite
_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                 99.97
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.588
_cell_length_b                   12.560
_cell_length_c                   13.428
_cell_volume                     1094.324
_database_code_amcsd             0009784
_exptl_crystal_density_diffrn    2.132
_cod_original_formula_sum        'Ca Na B5 O14 H10'
_cod_database_code               9007658
Structure and planar faults in the defective NiAs-type compound Ni17S18
Collin, G.; Chavant, C.; Comes, R.; Acta Crystallographica, Section B 39 (1983) 289–296; doi:10.1107/S0108768183002426

data_9007659
_publ_section_title
;
 Structure and planar faults in the defective NiAs-type compound Ni17S18
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              289
_journal_page_last               296
_journal_paper_doi               10.1107/S0108768183002426
_journal_volume                  39
_journal_year                    1983
_chemical_formula_structural     Ni17S18
_chemical_formula_sum            'Ni53 S54'
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.290
_cell_length_b                   10.290
_cell_length_c                   15.993
_cell_formula_units_Z            1
_cell_volume                     1466.531
_database_code_amcsd             0009787
_exptl_crystal_density_diffrn    5.483
_cod_database_code               9007659
_amcsd_formula_title             Ni17S18
Anisotropic mean-square displacements (MSD) in single crystals of 2H- and 3R-MoS2 Note: 2H polytype, this is the most common in nature
Schonfeld, B.; Huang, J. J.; Moss, S. C.; Acta Crystallographica, Section B 39 (1983) 404–407; doi:10.1107/S0108768183002645

data_9007660
_publ_section_title
;
 Anisotropic mean-square displacements (MSD) in single crystals
 of 2H- and 3R-MoS2
 Note: 2H polytype, this is the most common in nature
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              404
_journal_page_last               407
_journal_paper_doi               10.1107/S0108768183002645
_journal_volume                  39
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mo S2'
_chemical_name_mineral           Molybdenite
_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                   3.161
_cell_length_b                   3.161
_cell_length_c                   12.295
_cell_formula_units_Z            2
_cell_volume                     106.392
_database_code_amcsd             0009788
_exptl_crystal_density_diffrn    4.997
_cod_database_code               9007660
Anisotropic mean-square displacements (MSD) in single crystals of 2H- and 3R-MoS2 Note: 3R polytype
Schonfeld, B.; Huang, J. J.; Moss, S. C.; Acta Crystallographica, Section B 39 (1983) 404–407; doi:10.1107/S0108768183002645

data_9007661
_publ_section_title
;
 Anisotropic mean-square displacements (MSD) in single crystals
 of 2H- and 3R-MoS2
 Note: 3R polytype
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              404
_journal_page_last               407
_journal_paper_doi               10.1107/S0108768183002645
_journal_volume                  39
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mo S2'
_chemical_name_mineral           Molybdenite
_space_group_IT_number           160
_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                   3.163
_cell_length_b                   3.163
_cell_length_c                   18.37
_cell_formula_units_Z            3
_cell_volume                     159.162
_database_code_amcsd             0009789
_exptl_crystal_density_diffrn    5.010
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_database_code               9007661
Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: Pnam refinement, P = .0001 GPa
Lyman, P. S.; Prewitt, C. T.; Acta Crystallographica, Section B 40 (1984) 14–20; doi:10.1107/S0108768184001695

data_9007662
_publ_section_title
;
 Room- and high-pressure crystal chemistry of CoAs and FeAs
 Note: anisoB's taken from ICSD
 Sample: Pnam refinement, P = .0001 GPa
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              14
_journal_page_last               20
_journal_paper_doi               10.1107/S0108768184001695
_journal_volume                  40
_journal_year                    1984
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As Co'
_chemical_name_mineral           Modderite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.2857
_cell_length_b                   5.8675
_cell_length_c                   3.4883
_cell_formula_units_Z            4
_cell_volume                     108.186
_database_code_amcsd             0009791
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    8.218
_cod_original_formula_sum        'Co As'
_cod_database_code               9007662
Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: Pna2_1 refinement, P = .0001 GPa
Lyman, P. S.; Prewitt, C. T.; Acta Crystallographica, Section B 40 (1984) 14–20; doi:10.1107/S0108768184001695

data_9007663
_publ_section_title
;
 Room- and high-pressure crystal chemistry of CoAs and FeAs
 Note: anisoB's taken from ICSD
 Sample: Pna2_1 refinement, P = .0001 GPa
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              14
_journal_page_last               20
_journal_paper_doi               10.1107/S0108768184001695
_journal_volume                  40
_journal_year                    1984
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As Co'
_chemical_name_mineral           Modderite
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.2857
_cell_length_b                   5.8675
_cell_length_c                   3.4883
_cell_formula_units_Z            4
_cell_volume                     108.186
_database_code_amcsd             0009792
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    8.218
_cod_original_formula_sum        'Co As'
_cod_database_code               9007663
Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 2.80 GPa
Lyman, P. S.; Prewitt, C. T.; Acta Crystallographica, Section B 40 (1984) 14–20; doi:10.1107/S0108768184001695

data_9007664
_publ_section_title
;
 Room- and high-pressure crystal chemistry of CoAs and FeAs
 Note: anisoB's taken from ICSD
 Sample: P = 2.80 GPa
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              14
_journal_page_last               20
_journal_paper_doi               10.1107/S0108768184001695
_journal_volume                  40
_journal_year                    1984
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As Co'
_chemical_name_mineral           Modderite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.2675
_cell_length_b                   5.815
_cell_length_c                   3.4623
_cell_formula_units_Z            4
_cell_volume                     106.052
_database_code_amcsd             0009793
_diffrn_ambient_pressure         2.8e+06
_exptl_crystal_density_diffrn    8.383
_cod_original_formula_sum        'Co As'
_cod_database_code               9007664
Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 3.70 GPa
Lyman, P. S.; Prewitt, C. T.; Acta Crystallographica, Section B 40 (1984) 14–20; doi:10.1107/S0108768184001695

data_9007665
_publ_section_title
;
 Room- and high-pressure crystal chemistry of CoAs and FeAs
 Note: anisoB's taken from ICSD
 Sample: P = 3.70 GPa
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              14
_journal_page_last               20
_journal_paper_doi               10.1107/S0108768184001695
_journal_volume                  40
_journal_year                    1984
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As Co'
_chemical_name_mineral           Modderite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.2631
_cell_length_b                   5.801
_cell_length_c                   3.4569
_cell_formula_units_Z            4
_cell_volume                     105.543
_database_code_amcsd             0009794
_diffrn_ambient_pressure         3.7e+06
_exptl_crystal_density_diffrn    8.424
_cod_original_formula_sum        'Co As'
_cod_database_code               9007665
Room- and high-pressure crystal chemistry of CoAs and FeAs Note: anisoB's taken from ICSD Sample: P = 4.90 GPa
Lyman, P. S.; Prewitt, C. T.; Acta Crystallographica, Section B 40 (1984) 14–20; doi:10.1107/S0108768184001695

data_9007666
_publ_section_title
;
 Room- and high-pressure crystal chemistry of CoAs and FeAs
 Note: anisoB's taken from ICSD
 Sample: P = 4.90 GPa
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              14
_journal_page_last               20
_journal_paper_doi               10.1107/S0108768184001695
_journal_volume                  40
_journal_year                    1984
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As Co'
_chemical_name_mineral           Modderite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.2575
_cell_length_b                   5.7782
_cell_length_c                   3.4453
_cell_formula_units_Z            4
_cell_volume                     104.664
_database_code_amcsd             0009795
_diffrn_ambient_pressure         4.9e+06
_exptl_crystal_density_diffrn    8.495
_cod_original_formula_sum        'Co As'
_cod_database_code               9007666