LMucko/crystallography-open-database huggingface dataset:
Crystallographic and magnetic properties of the Cd(OH)2 layer structure compound TiS2 containing extra iron
Takahashi, T.; Yamada, O.; Journal of Solid State Chemistry 7 (1973) 25–30; doi:10.1016/0022-4596(73)90116-3

data_9012121
_publ_section_title
;
 Crystallographic and magnetic properties of the Cd(OH)2
 layer structure compound TiS2 containing extra iron
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              25
_journal_page_last               30
_journal_paper_doi               10.1016/0022-4596(73)90116-3
_journal_volume                  7
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe S4 Ti2'
_chemical_name_mineral           Heideite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.10
_cell_angle_gamma                90
_cell_length_a                   5.953
_cell_length_b                   3.437
_cell_length_c                   11.948
_cell_formula_units_Z            2
_cell_volume                     244.461
_database_code_amcsd             0013313
_exptl_crystal_density_diffrn    3.802
_cod_original_formula_sum        'Fe Ti2 S4'
_cod_database_code               9012121
The structure analysis of beta-rhombohedral boron
Hoard, J. L.; Sullenger, D. B.; Kennard, C. H. L.; Hughes, R. E.; Journal of Solid State Chemistry 1 (1970) 268–277; doi:10.1016/0022-4596(70)90022-8

data_9012122
_publ_section_title
;
 The structure analysis of beta-rhombohedral boron
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              268
_journal_page_last               277
_journal_paper_doi               10.1016/0022-4596(70)90022-8
_journal_volume                  1
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            B
_chemical_name_mineral           Boron
_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                   10.944
_cell_length_b                   10.944
_cell_length_c                   23.81
_cell_formula_units_Z            315
_cell_volume                     2469.689
_database_code_amcsd             0013290
_exptl_crystal_density_diffrn    2.290
_cod_original_cell_volume        2469.688
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               9012122
Determination of the homogenity range and refinement of the crystal structure of Fe2P Locality: synthetic
Carlsson, B.; Golin, M.; Rundqvist, S.; Journal of Solid State Chemistry 8 (1973) 57–67; doi:10.1016/0022-4596(73)90021-2

data_9012123
_publ_section_title
;Determination of the homogenity range and refinement of the crystal structure
 of Fe2P Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              57
_journal_page_last               67
_journal_paper_doi               10.1016/0022-4596(73)90021-2
_journal_volume                  8
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe2 P'
_chemical_name_mineral           Barringerite
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.8675
_cell_length_b                   5.8675
_cell_length_c                   3.4581
_cell_formula_units_Z            3
_cell_volume                     103.104
_database_code_amcsd             0013329
_exptl_crystal_density_diffrn    6.893
_cod_database_code               9012123
Oxydes de plomb. I. structure cristalline du minium Pb3O4, a temperature ambiante (293 K) Sample: T = 293 K
Gavarri, J. R.; Weigel, D.; Journal of Solid State Chemistry 13 (1975) 252–257; doi:10.1016/0022-4596(75)90127-9

data_9012124
_publ_section_title
;
 Oxydes de plomb. I. structure cristalline du minium Pb3O4, a temperature
 ambiante (293 K)
 Sample: T = 293 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              252
_journal_page_last               257
_journal_paper_doi               10.1016/0022-4596(75)90127-9
_journal_volume                  13
_journal_year                    1975
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O4 Pb3'
_chemical_name_mineral           Minium
_space_group_IT_number           135
_symmetry_space_group_name_Hall  '-P 4c 2ab'
_symmetry_space_group_name_H-M   'P 42/m b c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.811
_cell_length_b                   8.811
_cell_length_c                   6.563
_cell_formula_units_Z            4
_cell_volume                     509.510
_database_code_amcsd             0013330
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    8.938
_cod_original_formula_sum        'Pb3 O4'
_cod_database_code               9012124
On the formation of FeSe2 single crystals by chemical transport reactions
Pickardt, J.; Reuter, B.; Riedel, E.; Sochtig, J.; Journal of Solid State Chemistry 15 (1975) 366–368; doi:10.1016/0022-4596(75)90293-5

data_9012125
_publ_section_title
;
 On the formation of FeSe2 single crystals by chemical transport reactions
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              366
_journal_page_last               368
_journal_paper_doi               10.1016/0022-4596(75)90293-5
_journal_volume                  15
_journal_year                    1975
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe Se2'
_chemical_name_mineral           Ferroselite
_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                   4.804
_cell_length_b                   5.784
_cell_length_c                   3.586
_cell_formula_units_Z            2
_cell_volume                     99.642
_database_code_amcsd             0013331
_exptl_crystal_density_diffrn    7.125
_cod_database_code               9012125
Effet Jahn-Teller et structure cristalline de l'hydroxyde CuSn(OH)6
Morgenstern-Badarau I; Journal of Solid State Chemistry 17 (1976) 399–406; doi:10.1016/S0022-4596(76)80010-2

data_9012126
_publ_section_title
;
 Effet Jahn-Teller et structure cristalline de l'hydroxyde CuSn(OH)6
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              399
_journal_page_last               406
_journal_paper_doi               10.1016/S0022-4596(76)80010-2
_journal_volume                  17
_journal_year                    1976
_chemical_formula_sum            'Cu H6 O6 Sn'
_chemical_name_mineral           Mushistonite
_space_group_IT_number           134
_symmetry_space_group_name_Hall  '-P 4ac 2bc'
_symmetry_space_group_name_H-M   'P 42/n n m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.586
_cell_length_b                   7.586
_cell_length_c                   8.103
_cell_volume                     466.307
_database_code_amcsd             0013333
_exptl_crystal_density_diffrn    4.050
_cod_duplicate_entry             9009750
_cod_original_sg_symbol_H-M      'P 42/n n m'
_cod_original_formula_sum        'Cu Sn (O6 H6)'
_cod_database_code               9012126
The crystal structure of M-LiTa3O8 and its relationship to the mineral wodginite
Gatehouse, B. M.; Negas, T.; Roth, R. S.; Journal of Solid State Chemistry 18 (1976) 1–7; doi:10.1016/0022-4596(76)90072-4

data_9012127
_publ_section_title
;
 The crystal structure of M-LiTa3O8 and its relationship to the mineral
 wodginite
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1
_journal_page_last               7
_journal_paper_doi               10.1016/0022-4596(76)90072-4
_journal_volume                  18
_journal_year                    1976
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Li O8 Ta3'
_chemical_name_mineral           Lithiowodginite
_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                 91.05
_cell_angle_gamma                90
_cell_length_a                   9.413
_cell_length_b                   11.522
_cell_length_c                   5.050
_cell_formula_units_Z            4
_cell_volume                     547.614
_database_code_amcsd             0013334
_exptl_crystal_density_diffrn    8.221
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'Li Ta3 O8'
_cod_database_code               9012127
Isotope effects in the bonds of beta-CrOOH and beta-CrOOD Locality: synthetic
Christensen, N.; Hansen, P.; Lehmann, M. S.; Journal of Solid State Chemistry 19 (1976) 299–304; doi:10.1016/0022-4596(76)90180-8

data_9012128
_publ_section_title
;
 Isotope effects in the bonds of beta-CrOOH and beta-CrOOD
 Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              299
_journal_page_last               304
_journal_paper_doi               10.1016/0022-4596(76)90180-8
_journal_volume                  19
_journal_year                    1976
_chemical_formula_structural     CrO(OD)
_chemical_formula_sum            'Cr D O2'
_chemical_name_mineral           'Guyanaite (deuterated)'
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P -2 2ac'
_symmetry_space_group_name_H-M   'P 21 n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.873
_cell_length_b                   4.332
_cell_length_c                   2.963
_cell_formula_units_Z            2
_cell_volume                     62.548
_exptl_crystal_density_diffrn    4.567
_cod_original_formula_sum        'Cr O2 D'
_cod_database_code               9012128
_database_code_amcsd 0013338
Isotope effects in the bonds of beta-CrOOH and beta-CrOOD
Christensen, N.; Hansen, P.; Lehmann, M. S.; Journal of Solid State Chemistry 19 (1976) 299–304; doi:10.1016/0022-4596(76)90180-8

data_9012129
_publ_section_title
;
 Isotope effects in the bonds of beta-CrOOH and beta-CrOOD
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              299
_journal_page_last               304
_journal_paper_doi               10.1016/0022-4596(76)90180-8
_journal_volume                  19
_journal_year                    1976
_chemical_compound_source        Synthetic
_chemical_formula_structural     CrO(OH)
_chemical_formula_sum            'Cr H O2'
_chemical_name_mineral           Guyanaite
_space_group_IT_number           31
_symmetry_space_group_name_Hall  'P -2 2ac'
_symmetry_space_group_name_H-M   'P 21 n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.862
_cell_length_b                   4.298
_cell_length_c                   2.995
_cell_formula_units_Z            2
_cell_volume                     62.586
_database_code_amcsd             0013339
_exptl_crystal_density_diffrn    4.511
_cod_original_formula_sum        'Cr O2 H'
_cod_database_code               9012129
Isotope effects in the bonds of beta-CrOOH and beta-CrOOD Locality: synthetic
Christensen, N.; Hansen, P.; Lehmann, M. S.; Journal of Solid State Chemistry 19 (1976) 299–304; doi:10.1016/0022-4596(76)90180-8

data_9012130
_publ_section_title
;
 Isotope effects in the bonds of beta-CrOOH and beta-CrOOD
 Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              299
_journal_page_last               304
_journal_paper_doi               10.1016/0022-4596(76)90180-8
_journal_volume                  19
_journal_year                    1976
_chemical_formula_structural     CrO(OD)
_chemical_formula_sum            'Cr D O2'
_chemical_name_mineral           'Guyanaite (deuterated)'
_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                   4.873
_cell_length_b                   4.332
_cell_length_c                   2.963
_cell_formula_units_Z            2
_cell_volume                     62.548
_exptl_crystal_density_diffrn    4.567
_cod_original_formula_sum        'Cr O2 D'
_cod_database_code               9012130
_database_code_amcsd 0013340
Isotope effects in the bonds of beta-CrOOH and beta-CrOOD
Christensen, N.; Hansen, P.; Lehmann, M. S.; Journal of Solid State Chemistry 19 (1976) 299–304; doi:10.1016/0022-4596(76)90180-8

data_9012131
_publ_section_title
;
 Isotope effects in the bonds of beta-CrOOH and beta-CrOOD
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              299
_journal_page_last               304
_journal_paper_doi               10.1016/0022-4596(76)90180-8
_journal_volume                  19
_journal_year                    1976
_chemical_compound_source        Synthetic
_chemical_formula_structural     CrO(OH)
_chemical_formula_sum            'Cr H O2'
_chemical_name_mineral           Guyanaite
_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                   4.862
_cell_length_b                   4.298
_cell_length_c                   2.995
_cell_formula_units_Z            2
_cell_volume                     62.586
_database_code_amcsd             0013341
_exptl_crystal_density_diffrn    4.511
_cod_original_formula_sum        'Cr O2 H'
_cod_database_code               9012131
Isotope effects in the bonds of alpha-CrOOH and alpha-CrOOD Locality: synthetic
Christensen, A. N.; Hansen, P.; Lehmann, M. S.; Journal of Solid State Chemistry 21 (1977) 325–329; doi:10.1016/0022-4596(77)90130-X

data_9012132
_publ_section_title
;
 Isotope effects in the bonds of alpha-CrOOH and alpha-CrOOD
 Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              325
_journal_page_last               329
_journal_paper_doi               10.1016/0022-4596(77)90130-X
_journal_volume                  21
_journal_year                    1977
_chemical_formula_structural     CrO(OD)
_chemical_formula_sum            'Cr D O2'
_chemical_name_mineral           Grimaldiite
_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                   2.985
_cell_length_b                   2.985
_cell_length_c                   13.48
_cell_formula_units_Z            3
_cell_volume                     104.018
_exptl_crystal_density_diffrn    4.119
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Cr O2 D'
_cod_database_code               9012132
_database_code_amcsd 0013343
Isotope effects in the bonds of alpha-CrOOH and alpha-CrOOD Locality: synthetic
Christensen, A. N.; Hansen, P.; Lehmann, M. S.; Journal of Solid State Chemistry 21 (1977) 325–329; doi:10.1016/0022-4596(77)90130-X

data_9012133
_publ_section_title
;
 Isotope effects in the bonds of alpha-CrOOH and alpha-CrOOD
 Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              325
_journal_page_last               329
_journal_paper_doi               10.1016/0022-4596(77)90130-X
_journal_volume                  21
_journal_year                    1977
_chemical_formula_structural     CrO(OD)
_chemical_formula_sum            'Cr D O2'
_chemical_name_mineral           'Grimaldiite (deuterated)'
_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                   2.985
_cell_length_b                   2.985
_cell_length_c                   13.48
_cell_formula_units_Z            3
_cell_volume                     104.018
_exptl_crystal_density_diffrn    4.119
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Cr O2 D'
_cod_database_code               9012133
_database_code_amcsd 0013344
Isotope effects in the bonds of alpha-CrOOH and alpha-CrOOD Sample: T = 300 K
Christensen, A. N.; Hansen, P.; Lehmann, M. S.; Journal of Solid State Chemistry 21 (1977) 325–329; doi:10.1016/0022-4596(77)90130-X

data_9012134
_publ_section_title
;
 Isotope effects in the bonds of alpha-CrOOH and alpha-CrOOD
 Sample: T = 300 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              325
_journal_page_last               329
_journal_paper_doi               10.1016/0022-4596(77)90130-X
_journal_volume                  21
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_structural     CrO(OH)
_chemical_formula_sum            'Cr H O2'
_chemical_name_mineral           Grimaldiite
_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                   2.979
_cell_length_b                   2.979
_cell_length_c                   13.37
_cell_formula_units_Z            3
_cell_volume                     102.755
_database_code_amcsd             0013345
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    4.121
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Cr O2 H'
_cod_database_code               9012134
Isotope effects in the bonds of alpha-CrOOH and alpha-CrOOD Sample: T = 300 K
Christensen, A. N.; Hansen, P.; Lehmann, M. S.; Journal of Solid State Chemistry 21 (1977) 325–329; doi:10.1016/0022-4596(77)90130-X

data_9012135
_publ_section_title
;
 Isotope effects in the bonds of alpha-CrOOH and alpha-CrOOD
 Sample: T = 300 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              325
_journal_page_last               329
_journal_paper_doi               10.1016/0022-4596(77)90130-X
_journal_volume                  21
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_structural     CrO(OH)
_chemical_formula_sum            'Cr H O2'
_chemical_name_mineral           Grimaldiite
_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                   2.979
_cell_length_b                   2.979
_cell_length_c                   13.37
_cell_formula_units_Z            3
_cell_volume                     102.755
_database_code_amcsd             0013346
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    4.121
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Cr O2 H'
_cod_database_code               9012135
Crystallographic studies of the role of Mg as a stabilizing impurity in beta-Ca3(PO4)2. II. Refinement of Mg-containing beta-Ca3(PO4)2 Sample: x = 0.11 Mg Note: changed sign of O3(y) to match bond distances
Schroeder, L. W.; Dickens, B.; Brown, W. E.; Journal of Solid State Chemistry 22 (1977) 253–262; doi:10.1016/0022-4596(77)90002-0

data_9012136
_publ_section_title
;
 Crystallographic studies of the role of Mg as a stabilizing impurity in
 beta-Ca3(PO4)2. II. Refinement of Mg-containing beta-Ca3(PO4)2
 Sample: x = 0.11 Mg
 Note: changed sign of O3(y) to match bond distances
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              253
_journal_page_last               262
_journal_paper_doi               10.1016/0022-4596(77)90002-0
_journal_volume                  22
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca10.115 Mg0.385 O28 P7'
_chemical_name_mineral           Whitlockite
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.401
_cell_length_b                   10.401
_cell_length_c                   37.316
_cell_formula_units_Z            6
_cell_volume                     3496.036
_database_code_amcsd             0013351
_exptl_crystal_density_diffrn    3.077
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'Ca10.115 Mg.385 P7 O28'
_cod_database_code               9012136
Crystallographic studies of the role of Mg as a stabilizing impurity in beta-Ca3(PO4)2. II. Refinement of Mg-containing beta-Ca3(PO4)2 Sample: x = 0.29 Mg
Schroeder, L. W.; Dickens, B.; Brown, W. E.; Journal of Solid State Chemistry 22 (1977) 253–262; doi:10.1016/0022-4596(77)90002-0

data_9012137
_publ_section_title
;
 Crystallographic studies of the role of Mg as a stabilizing impurity in
 beta-Ca3(PO4)2. II. Refinement of Mg-containing beta-Ca3(PO4)2
 Sample: x = 0.29 Mg
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              253
_journal_page_last               262
_journal_paper_doi               10.1016/0022-4596(77)90002-0
_journal_volume                  22
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca9.5 Mg O28 P7'
_chemical_name_mineral           Whitlockite
_space_group_IT_number           161
_symmetry_space_group_name_Hall  'R 3 -2"c'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.337
_cell_length_b                   10.337
_cell_length_c                   37.068
_cell_formula_units_Z            6
_cell_volume                     3430.195
_database_code_amcsd             0013352
_exptl_crystal_density_diffrn    3.107
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'Ca9.5 Mg P7 O28'
_cod_database_code               9012137