LMucko/crystallography-open-database huggingface dataset:
Etudes structurales de composes de type cementite: effet de l'hydrogene sur Fe3C suivi par diffraction neutronique. Spectrometrie Mossbauer sur FeCo2B et Co3B dopes au 57Fe Locality: synthetic
Fruchart, D.; Chaudouet, P.; Fruchart, R.; Rouault, A.; Senateur, J. P.; Journal of Solid State Chemistry 51 (1984) 246–252; doi:10.1016/0022-4596(84)90340-2

data_9012187
_publ_section_title
;Etudes structurales de composes de type cementite: effet de l'hydrogene sur
 Fe3C suivi par diffraction neutronique. Spectrometrie Mossbauer sur FeCo2B et
 Co3B dopes au 57Fe Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              246
_journal_page_last               252
_journal_paper_doi               10.1016/0022-4596(84)90340-2
_journal_volume                  51
_journal_year                    1984
_chemical_formula_sum            'C Fe3'
_chemical_name_mineral           Cohenite
_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                   5.092
_cell_length_b                   6.741
_cell_length_c                   4.527
_cell_formula_units_Z            4
_cell_volume                     155.390
_exptl_crystal_density_diffrn    7.675
_cod_original_formula_sum        'Fe3 C'
_cod_database_code               9012187
_cod_duplicate_entry 1008725
Etudes structurales de composes de type cementite: effet de l'hydrogene sur Fe3C suivi par diffraction neutronique. Spectrometrie Mossbauer sur FeCo2B et Co3B dopes au 57Fe Locality: synthetic
Fruchart, D.; Chaudouet, P.; Fruchart, R.; Rouault, A.; Senateur, J. P.; Journal of Solid State Chemistry 51 (1984) 246–252; doi:10.1016/0022-4596(84)90340-2

data_9012188
_publ_section_title
;Etudes structurales de composes de type cementite: effet de l'hydrogene sur
 Fe3C suivi par diffraction neutronique. Spectrometrie Mossbauer sur FeCo2B et
 Co3B dopes au 57Fe Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              246
_journal_page_last               252
_journal_paper_doi               10.1016/0022-4596(84)90340-2
_journal_volume                  51
_journal_year                    1984
_chemical_formula_sum            'C Fe3'
_chemical_name_mineral           Cementite
_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                   5.092
_cell_length_b                   6.741
_cell_length_c                   4.527
_cell_formula_units_Z            4
_cell_volume                     155.390
_exptl_crystal_density_diffrn    7.675
_cod_original_formula_sum        'Fe3 C'
_cod_database_code               9012188
_cod_duplicate_entry 1008725
The magnetic properties of FeTa2O6. Magnetic structure and low-dimensional behavior Locality: synthetic
Eicher, S. M.; Greedan, J. E.; Lushington, K. J.; Journal of Solid State Chemistry 62 (1986) 220–230; doi:10.1016/0022-4596(86)90235-5

data_9012189
_publ_section_title
;
 The magnetic properties of FeTa2O6. Magnetic structure and low-dimensional
 behavior
 Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              220
_journal_page_last               230
_journal_paper_doi               10.1016/0022-4596(86)90235-5
_journal_volume                  62
_journal_year                    1986
_chemical_formula_sum            'Fe O6 Ta2'
_chemical_name_mineral           Ferrotapiolite
_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_length_a                   4.749
_cell_length_b                   4.749
_cell_length_c                   9.192
_cell_formula_units_Z            2
_cell_volume                     207.307
_exptl_crystal_density_diffrn    8.230
_cod_original_formula_sum        'Fe Ta2 O6'
_cod_database_code               9012189
_database_code_amcsd 0013575
The magnetic properties of FeTa2O6. Magnetic structure and low-dimensional behavior Locality: synthetic
Eicher, S. M.; Greedan, J. E.; Lushington, K. J.; Journal of Solid State Chemistry 62 (1986) 220–230; doi:10.1016/0022-4596(86)90235-5

data_9012190
_publ_section_title
;
 The magnetic properties of FeTa2O6. Magnetic structure and low-dimensional
 behavior
 Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              220
_journal_page_last               230
_journal_paper_doi               10.1016/0022-4596(86)90235-5
_journal_volume                  62
_journal_year                    1986
_chemical_formula_sum            'Fe O6 Ta2'
_chemical_name_mineral           Tapiolite-(Fe)
_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_length_a                   4.749
_cell_length_b                   4.749
_cell_length_c                   9.192
_cell_formula_units_Z            2
_cell_volume                     207.307
_exptl_crystal_density_diffrn    8.230
_cod_original_formula_sum        'Fe Ta2 O6'
_cod_database_code               9012190
_cod_duplicate_entry 9012189
Crystal structures of tungsten disulfide and diselenide Sample: 2H polytype
Schutte, W. J.; de Boer, J. L.; Jellinek, F.; Journal of Solid State Chemistry 70 (1987) 207–209; doi:10.1016/0022-4596(87)90057-0

data_9012191
_publ_section_title
;
 Crystal structures of tungsten disulfide and diselenide
 Sample: 2H polytype
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              207
_journal_page_last               209
_journal_paper_doi               10.1016/0022-4596(87)90057-0
_journal_volume                  70
_journal_year                    1987
_chemical_formula_sum            'S2 W'
_chemical_name_mineral           Tungstenite
_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                   3.1532
_cell_length_b                   3.1532
_cell_length_c                   12.323
_cell_formula_units_Z            2
_cell_volume                     106.108
_database_code_amcsd             0013601
_exptl_crystal_density_diffrn    7.762
_cod_original_formula_sum        'W S2'
_cod_database_code               9012191
Crystal structures of tungsten disulfide and diselenide Sample: 3R polytype
Schutte, W. J.; de Boer, J. L.; Jellinek, F.; Journal of Solid State Chemistry 70 (1987) 207–209; doi:10.1016/0022-4596(87)90057-0

data_9012192
_publ_section_title
;
 Crystal structures of tungsten disulfide and diselenide
 Sample: 3R polytype
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              207
_journal_page_last               209
_journal_paper_doi               10.1016/0022-4596(87)90057-0
_journal_volume                  70
_journal_year                    1987
_chemical_formula_sum            'S2 W'
_chemical_name_mineral           Tungstenite
_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                   3.158
_cell_length_b                   3.158
_cell_length_c                   18.49
_cell_formula_units_Z            3
_cell_volume                     159.695
_database_code_amcsd             0013602
_exptl_crystal_density_diffrn    7.736
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'W S2'
_cod_database_code               9012192
Crystal structures of tungsten disulfide and diselenide
Schutte, W. J.; de Boer, J. L.; Jellinek, F.; Journal of Solid State Chemistry 70 (1987) 207–209; doi:10.1016/0022-4596(87)90057-0

data_9012193
_publ_section_title
;
 Crystal structures of tungsten disulfide and diselenide
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              207
_journal_page_last               209
_journal_paper_doi               10.1016/0022-4596(87)90057-0
_journal_volume                  70
_journal_year                    1987
_chemical_formula_sum            'Se2 W'
_chemical_name_mineral           WSe2
_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                   3.282
_cell_length_b                   3.282
_cell_length_c                   12.96
_cell_formula_units_Z            2
_cell_volume                     120.896
_database_code_amcsd             0013603
_exptl_crystal_density_diffrn    9.389
_cod_original_formula_sum        'W Se2'
_cod_database_code               9012193
_amcsd_formula_title             WSe2
Space group of U4O9 in the beta phase Sample: F-43m refinement
Lauriat, J. P.; Chevrier, G.; Boucherle, J. X.; Journal of Solid State Chemistry 80 (1989) 80–93; doi:10.1016/0022-4596(89)90034-0

data_9012194
_publ_section_title
;
 Space group of U4O9 in the beta phase
 Sample: F-43m refinement
;
_journal_issue                   1
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              80
_journal_page_last               93
_journal_paper_doi               10.1016/0022-4596(89)90034-0
_journal_volume                  80
_journal_year                    1989
_chemical_formula_sum            'O2.326 U'
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.44
_cell_length_b                   5.44
_cell_length_c                   5.44
_cell_volume                     160.989
_database_code_amcsd             0013652
_exptl_crystal_density_diffrn    11.356
_cod_depositor_comments
;
 Adding _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-03-28
;
_cod_original_formula_sum        'U O2.326'
_cod_database_code               9012194
_amcsd_formula_title             U4O9
Space group of U4O9 in the beta phase Sample: P-43m refinement
Lauriat, J. P.; Chevrier, G.; Boucherle, J. X.; Journal of Solid State Chemistry 80 (1989) 80–93; doi:10.1016/0022-4596(89)90034-0

data_9012195
_publ_section_title
;
 Space group of U4O9 in the beta phase
 Sample: P-43m refinement
;
_journal_issue                   1
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              80
_journal_page_last               93
_journal_paper_doi               10.1016/0022-4596(89)90034-0
_journal_volume                  80
_journal_year                    1989
_chemical_formula_sum            'O2.338 U'
_space_group_IT_number           215
_symmetry_space_group_name_Hall  'P -4 2 3'
_symmetry_space_group_name_H-M   'P -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.44
_cell_length_b                   5.44
_cell_length_c                   5.44
_cell_volume                     160.989
_database_code_amcsd             0013653
_exptl_crystal_density_diffrn    11.364
_cod_depositor_comments
;
 Adding _atom_site_type_symbol label and values.

 Antanas Vaitkus
 2013-03-28
;
_cod_original_formula_sum        'U O2.338'
_cod_database_code               9012195
_amcsd_formula_title             U4O9
Refinement of the crystal structure of tetragonal Al2Cu
Meetsma, A.; de Boer, J. L.; van Smaalen, S.; Journal of Solid State Chemistry 83 (1989) 370–372; doi:10.1016/0022-4596(89)90188-6

data_9012196
_publ_section_title
;
 Refinement of the crystal structure of tetragonal Al2Cu
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              370
_journal_page_last               372
_journal_paper_doi               10.1016/0022-4596(89)90188-6
_journal_volume                  83
_journal_year                    1989
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Cu'
_chemical_name_mineral           Khatyrkite
_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                   6.067
_cell_length_b                   6.067
_cell_length_c                   4.877
_cell_volume                     179.515
_database_code_amcsd             0013668
_exptl_crystal_density_diffrn    4.348
_cod_depositor_comments
;
 Added the _cell_formula_units_Z data item.

 Antanas Vaitkus,
 2021-04-22
;
_cod_original_formula_sum        'Cu Al2'
_cod_database_code               9012196
A neutron diffraction study on hydrogen bonding in the mineral mellite (Al2[C6(COO)6]*16H2O) at 15 K Sample: T = 15 K Locality: Tatabanya, Hungary
Robl, C.; Kuhs, W. F.; Journal of Solid State Chemistry 92 (1991) 101–109; doi:10.1016/0022-4596(91)90246-E

data_9012197
_publ_section_title
;A neutron diffraction study on hydrogen bonding in the mineral mellite
 (Al2[C6(COO)6]*16H2O) at 15 K Sample: T = 15 K Locality: Tatabanya, Hungary
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              101
_journal_page_last               109
_journal_paper_doi               10.1016/0022-4596(91)90246-E
_journal_volume                  92
_journal_year                    1991
_chemical_compound_source        'Tatabanya, Hungary'
_chemical_formula_sum            'C6 H16 Al O14'
_chemical_name_mineral           Mellite
_space_group_IT_number           142
_symmetry_space_group_name_Hall  '-I 4bd 2c'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   15.553
_cell_length_b                   15.553
_cell_length_c                   23.110
_cell_volume                     5590.212
_database_code_amcsd             0013713
_diffrn_ambient_temperature      15
_exptl_crystal_density_diffrn    1.612
_cod_original_cell_volume        5590.213
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_original_formula_sum        'Al C6 O14 H16'
_cod_database_code               9012197
Structure and properties of hopeites (MgxZn1-x)3(PO4)2*4H2O
Haussuhl, S.; Middendorf, B.; Dorffel, M.; Journal of Solid State Chemistry 93 (1991) 9–16; doi:10.1016/0022-4596(91)90268-M

data_9012198
_publ_section_title
;
 Structure and properties of hopeites (MgxZn1-x)3(PO4)2*4H2O
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              9
_journal_page_last               16
_journal_paper_doi               10.1016/0022-4596(91)90268-M
_journal_volume                  93
_journal_year                    1991
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H8 Mg0.62 O12 P2 Zn2.38'
_chemical_name_mineral           Hopeite
_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                   10.594
_cell_length_b                   18.333
_cell_length_c                   5.029
_cell_volume                     976.731
_database_code_amcsd             0013717
_exptl_crystal_density_diffrn    2.943
_cod_original_formula_sum        'Mg.62 Zn2.38 P2 O12 H8'
_cod_database_code               9012198
The synthesis and structure of a beryllophosphate crystal with an open framework Locality: synthetic
Long, Y.; Journal of Solid State Chemistry 101 (1992) 199–201; doi:10.1016/0022-4596(92)90217-J

data_9012199
_publ_section_title
;The synthesis and structure of a beryllophosphate crystal with an open
 framework Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              199
_journal_page_last               201
_journal_paper_doi               10.1016/0022-4596(92)90217-J
_journal_volume                  101
_journal_year                    1992
_chemical_formula_sum            'Be Ca H O5 P'
_chemical_name_mineral           Hydroxyl-herderite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.05
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.784
_cell_length_b                   7.659
_cell_length_c                   4.808
_cell_volume                     360.290
_exptl_crystal_density_diffrn    2.969
_cod_original_formula_sum        'Ca Be P O5 H'
_cod_database_code               9012199
_database_code_amcsd 0013755
The synthesis and structure of a beryllophosphate crystal with an open framework Locality: synthetic
Long, Y.; Journal of Solid State Chemistry 101 (1992) 199–201; doi:10.1016/0022-4596(92)90217-J

data_9012200
_publ_section_title
;The synthesis and structure of a beryllophosphate crystal with an open
 framework Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              199
_journal_page_last               201
_journal_paper_doi               10.1016/0022-4596(92)90217-J
_journal_volume                  101
_journal_year                    1992
_chemical_formula_sum            'Be Ca H O5 P'
_chemical_name_mineral           Hydroxylherderite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.05
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.784
_cell_length_b                   7.659
_cell_length_c                   4.808
_cell_volume                     360.290
_exptl_crystal_density_diffrn    2.969
_cod_original_formula_sum        'Ca Be P O5 H'
_cod_database_code               9012200
_cod_duplicate_entry 9012199
Synthesis and crystal structure of the octahedral-tetrahedral framework indium phosphate Cs[In2(PO4)(HPO4)2(H2O)2]
Dhingra, S. S.; Haushalter, R. C.; Journal of Solid State Chemistry 112 (1994) 96–99; doi:10.1006/jssc.1994.1271

data_9012201
_publ_section_title
;
 Synthesis and crystal structure of the octahedral-tetrahedral framework
 indium phosphate Cs[In2(PO4)(HPO4)2(H2O)2]
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              96
_journal_page_last               99
_journal_paper_doi               10.1006/jssc.1994.1271
_journal_volume                  112
_journal_year                    1994
_chemical_formula_structural     CsIn2(PO4)(HPO4)2*2H2O
_chemical_formula_sum            'Cs H6 In2 O14 P3'
_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                 97.92
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.580
_cell_length_b                   18.092
_cell_length_c                   10.180
_cell_volume                     1200.322
_database_code_amcsd             0013823
_exptl_crystal_density_diffrn    3.793
_cod_original_formula_sum        'Cs In2 P3 O14 H6'
_cod_database_code               9012201
_amcsd_formula_title             CsIn2(PO4)(HPO4)2*2H2O
Hydrothermal synthesis and crystal structure determination of heptasilver(I)-disulfur-tetrathioarsenate(V), Ag7S2(AsS4), with a survey on thioarsenate anions Locality: synthetic
Pertlik, F.; Journal of Solid State Chemistry 112 (1994) 170–175; doi:10.1006/jssc.1994.1282

data_9012202
_publ_section_title
;Hydrothermal synthesis and crystal structure determination of
 heptasilver(I)-disulfur-tetrathioarsenate(V), Ag7S2(AsS4), with a survey on
 thioarsenate anions Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              170
_journal_page_last               175
_journal_paper_doi               10.1006/jssc.1994.1282
_journal_volume                  112
_journal_year                    1994
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ag7 As S6'
_chemical_name_mineral           Billingsleyite
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.475
_cell_length_b                   10.475
_cell_length_c                   10.475
_cell_formula_units_Z            4
_cell_volume                     1149.376
_database_code_amcsd             0013828
_exptl_crystal_density_diffrn    5.908
_cod_database_code               9012202
Synthesis, crystal structure, and ionic conductivity of a polycrystalline lithium phosphorus oxynitride with the gamma-Li3PO4 structure Note: reported bond lengths inconsistent with reported structure
Wang, B.; Chakoumakos, B. C.; Sales, B. C.; Kwak, B. S.; Bates, J. B.; Journal of Solid State Chemistry 115 (1995) 313–323; doi:10.1006/jssc.1995.1140

data_9012203
_publ_section_title
;
 Synthesis, crystal structure, and ionic conductivity of a polycrystalline
 lithium phosphorus oxynitride with the gamma-Li3PO4 structure
 Note: reported bond lengths inconsistent with reported structure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              313
_journal_page_last               323
_journal_paper_doi               10.1006/jssc.1995.1140
_journal_volume                  115
_journal_year                    1995
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Li2.88 N0.14 O3.73 P'
_chemical_name_mineral           Lithiophosphate
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2bc 2a'
_symmetry_space_group_name_H-M   'P m n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.1153
_cell_length_b                   10.469
_cell_length_c                   4.9195
_cell_formula_units_Z            4
_cell_volume                     314.952
_database_code_amcsd             0013842
_exptl_crystal_density_diffrn    2.375
_cod_original_formula_sum        'Li2.88 P O3.73 N.14'
_cod_database_code               9012203