LMucko/crystallography-open-database huggingface dataset:
RbIn(OH)PO4: an indium(III) phosphate containing spirals of corner-sharing InO6 octahedra
Lii, K. H.; Dalton Transactions 1996 (1996) 815–818; doi:

data_9012105
_publ_section_title
;RbIn(OH)PO4: an indium(III) phosphate containing spirals of corner-sharing
 InO6 octahedra
;
_journal_name_full               'Dalton Transactions'
_journal_page_first              815
_journal_page_last               818
_journal_volume                  1996
_journal_year                    1996
_chemical_formula_structural     RbIn(OH)PO4
_chemical_formula_sum            'H In O5 P Rb'
_space_group_IT_number           96
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.400
_cell_length_b                   9.400
_cell_length_c                   11.179
_cell_formula_units_Z            8
_cell_volume                     987.776
_database_code_amcsd             0012428
_exptl_crystal_density_diffrn    4.200
_cod_original_formula_sum        'Rb In P O5 H'
_cod_database_code               9012105
_amcsd_formula_title             RbIn(OH)PO4
The crystal structure of alpha-fluorine Sample: stable below 45.6 K Note: alpha phase
Pauling, L.; Keaveny, I.; Robinson, A. B.; Journal of Solid State Chemistry 2 (1970) 225–227; doi:10.1016/0022-4596(70)90074-5

data_9012106
_publ_section_title
;
 The crystal structure of alpha-fluorine
 Sample: stable below 45.6 K
 Note: alpha phase
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              225
_journal_page_last               227
_journal_paper_doi               10.1016/0022-4596(70)90074-5
_journal_volume                  2
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            F2
_chemical_name_mineral           Fluorine
_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                 102.17
_cell_angle_gamma                90
_cell_length_a                   5.50
_cell_length_b                   3.28
_cell_length_c                   7.28
_cell_formula_units_Z            4
_cell_volume                     128.380
_database_code_amcsd             0013291
_diffrn_ambient_temperature      23
_exptl_crystal_density_diffrn    1.966
_cod_database_code               9012106
The crystal structure of ammonium tetrafluoroborate IV at 140 K Sample: T = 140 K Note: x(H2), y(H2) adjusted to match reported bond lengths
van Rensburg, D. J. J.; Boeyens, J. C. A.; Journal of Solid State Chemistry 5 (1972) 79–84; doi:10.1016/0022-4596(72)90013-8

data_9012107
_publ_section_title
;
 The crystal structure of ammonium tetrafluoroborate IV at 140 K
 Sample: T = 140 K
 Note: x(H2), y(H2) adjusted to match reported bond lengths
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              79
_journal_page_last               84
_journal_paper_doi               10.1016/0022-4596(72)90013-8
_journal_volume                  5
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            'B F4 H4 N'
_chemical_name_mineral           Barberiite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.243
_cell_length_b                   8.808
_cell_length_c                   5.908
_cell_formula_units_Z            4
_cell_volume                     376.909
_database_code_amcsd             0013299
_diffrn_ambient_temperature      140
_exptl_crystal_density_diffrn    1.848
_cod_original_formula_sum        'N H4 B F4'
_cod_database_code               9012107
Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 4.2 K
Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B.; Journal of Solid State Chemistry 6 (1973) 574–582; doi:10.1016/S0022-4596(73)80018-0

data_9012108
_publ_section_title
;Crystal structures and magnetic structures of some metal chromium(III)
 sulfides and selenides Locality: synthetic Sample: T = 4.2 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              574
_journal_page_last               582
_journal_paper_doi               10.1016/S0022-4596(73)80018-0
_journal_volume                  6
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cr Na S2'
_chemical_name_mineral           Caswellsilverite
_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                   3.5561
_cell_length_b                   3.5561
_cell_length_c                   19.3650
_cell_formula_units_Z            3
_cell_volume                     212.078
_database_code_amcsd             0013300
_diffrn_ambient_temperature      4.2
_exptl_crystal_density_diffrn    3.268
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Na Cr S2'
_cod_database_code               9012108
Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 300 K
Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B.; Journal of Solid State Chemistry 6 (1973) 574–582; doi:10.1016/S0022-4596(73)80018-0

data_9012109
_publ_section_title
;Crystal structures and magnetic structures of some metal chromium(III)
 sulfides and selenides Locality: synthetic Sample: T = 300 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              574
_journal_page_last               582
_journal_paper_doi               10.1016/S0022-4596(73)80018-0
_journal_volume                  6
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cr Na S2'
_chemical_name_mineral           Caswellsilverite
_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                   3.5544
_cell_length_b                   3.5544
_cell_length_c                   19.4920
_cell_formula_units_Z            3
_cell_volume                     213.265
_database_code_amcsd             0013301
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    3.250
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Na Cr S2'
_cod_database_code               9012109
Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 4.2 K
Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B.; Journal of Solid State Chemistry 6 (1973) 574–582; doi:10.1016/S0022-4596(73)80018-0

data_9012110
_publ_section_title
;Crystal structures and magnetic structures of some metal chromium(III)
 sulfides and selenides Locality: synthetic Sample: T = 4.2 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              574
_journal_page_last               582
_journal_paper_doi               10.1016/S0022-4596(73)80018-0
_journal_volume                  6
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_structural     NaCrSe2
_chemical_formula_sum            'Cr Na Se2'
_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                   3.7323
_cell_length_b                   3.7323
_cell_length_c                   20.237
_cell_formula_units_Z            3
_cell_volume                     244.135
_database_code_amcsd             0013302
_diffrn_ambient_temperature      4.2
_exptl_crystal_density_diffrn    4.752
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Na Cr Se2'
_cod_database_code               9012110
_amcsd_formula_title             NaCrSe2
Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 300 K
Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B.; Journal of Solid State Chemistry 6 (1973) 574–582; doi:10.1016/S0022-4596(73)80018-0

data_9012111
_publ_section_title
;Crystal structures and magnetic structures of some metal chromium(III)
 sulfides and selenides Locality: synthetic Sample: T = 300 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              574
_journal_page_last               582
_journal_paper_doi               10.1016/S0022-4596(73)80018-0
_journal_volume                  6
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_structural     NaCrSe2
_chemical_formula_sum            'Cr Na Se2'
_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                   3.7323
_cell_length_b                   3.7323
_cell_length_c                   20.396
_cell_formula_units_Z            3
_cell_volume                     246.053
_database_code_amcsd             0013303
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    4.715
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Na Cr Se2'
_cod_database_code               9012111
_amcsd_formula_title             NaCrSe2
Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 4.2 K
Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B.; Journal of Solid State Chemistry 6 (1973) 574–582; doi:10.1016/S0022-4596(73)80018-0

data_9012112
_publ_section_title
;Crystal structures and magnetic structures of some metal chromium(III)
 sulfides and selenides Locality: synthetic Sample: T = 4.2 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              574
_journal_page_last               582
_journal_paper_doi               10.1016/S0022-4596(73)80018-0
_journal_volume                  6
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_structural     CuCrS2
_chemical_formula_sum            'Cr Cu S2'
_chemical_name_mineral           Grokhovskyite
_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                   3.4728
_cell_length_b                   3.4728
_cell_length_c                   18.616
_cell_formula_units_Z            3
_cell_volume                     194.436
_database_code_amcsd             0013304
_diffrn_ambient_temperature      4.2
_exptl_crystal_density_diffrn    4.603
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Cu Cr S2'
_cod_database_code               9012112
Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 300 K
Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B.; Journal of Solid State Chemistry 6 (1973) 574–582; doi:10.1016/S0022-4596(73)80018-0

data_9012113
_publ_section_title
;Crystal structures and magnetic structures of some metal chromium(III)
 sulfides and selenides Locality: synthetic Sample: T = 300 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              574
_journal_page_last               582
_journal_paper_doi               10.1016/S0022-4596(73)80018-0
_journal_volume                  6
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_structural     CuCrS2
_chemical_formula_sum            'Cr Cu S2'
_chemical_name_mineral           Grokhovskyite
_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                   3.4812
_cell_length_b                   3.4812
_cell_length_c                   18.6970
_cell_formula_units_Z            3
_cell_volume                     196.228
_database_code_amcsd             0013305
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    4.561
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Cu Cr S2'
_cod_database_code               9012113
Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 4.2 K
Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B.; Journal of Solid State Chemistry 6 (1973) 574–582; doi:10.1016/S0022-4596(73)80018-0

data_9012114
_publ_section_title
;Crystal structures and magnetic structures of some metal chromium(III)
 sulfides and selenides Locality: synthetic Sample: T = 4.2 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              574
_journal_page_last               582
_journal_paper_doi               10.1016/S0022-4596(73)80018-0
_journal_volume                  6
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_structural     AgCrS2
_chemical_formula_sum            'Ag Cr S2'
_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                   3.4884
_cell_length_b                   3.4884
_cell_length_c                   20.4140
_cell_formula_units_Z            3
_cell_volume                     215.135
_database_code_amcsd             0013306
_diffrn_ambient_temperature      4.2
_exptl_crystal_density_diffrn    5.187
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_database_code               9012114
_amcsd_formula_title             AgCrS2
Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 300 K
Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B.; Journal of Solid State Chemistry 6 (1973) 574–582; doi:10.1016/S0022-4596(73)80018-0

data_9012115
_publ_section_title
;Crystal structures and magnetic structures of some metal chromium(III)
 sulfides and selenides Locality: synthetic Sample: T = 300 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              574
_journal_page_last               582
_journal_paper_doi               10.1016/S0022-4596(73)80018-0
_journal_volume                  6
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_structural     AgCrS2
_chemical_formula_sum            'Ag Cr S2'
_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                   3.4974
_cell_length_b                   3.4974
_cell_length_c                   20.4810
_cell_formula_units_Z            3
_cell_volume                     216.956
_database_code_amcsd             0013307
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    5.143
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_database_code               9012115
_amcsd_formula_title             AgCrS2
Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 4.2 K
Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B.; Journal of Solid State Chemistry 6 (1973) 574–582; doi:10.1016/S0022-4596(73)80018-0

data_9012116
_publ_section_title
;Crystal structures and magnetic structures of some metal chromium(III)
 sulfides and selenides Locality: synthetic Sample: T = 4.2 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              574
_journal_page_last               582
_journal_paper_doi               10.1016/S0022-4596(73)80018-0
_journal_volume                  6
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_structural     AgCrSe2
_chemical_formula_sum            'Ag Cr Se2'
_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                   3.6898
_cell_length_b                   3.6898
_cell_length_c                   21.0240
_cell_formula_units_Z            3
_cell_volume                     247.886
_database_code_amcsd             0013308
_diffrn_ambient_temperature      4.2
_exptl_crystal_density_diffrn    6.386
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_database_code               9012116
_amcsd_formula_title             AgCrSe2
Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 300 K
Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B.; Journal of Solid State Chemistry 6 (1973) 574–582; doi:10.1016/S0022-4596(73)80018-0

data_9012117
_publ_section_title
;Crystal structures and magnetic structures of some metal chromium(III)
 sulfides and selenides Locality: synthetic Sample: T = 300 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              574
_journal_page_last               582
_journal_paper_doi               10.1016/S0022-4596(73)80018-0
_journal_volume                  6
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_structural     AgCrSe2
_chemical_formula_sum            'Ag Cr Se2'
_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                   3.6809
_cell_length_b                   3.6809
_cell_length_c                   21.2100
_cell_formula_units_Z            3
_cell_volume                     248.874
_database_code_amcsd             0013309
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    6.361
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_database_code               9012117
_amcsd_formula_title             AgCrSe2
Crystal structures and magnetic structures of some metal chromium(III) sulfides and selenides Locality: synthetic Sample: T = 525 K
Engelsman, F. M. R.; Wiegers, G. A.; Jellinek, F.; VanLaar, B.; Journal of Solid State Chemistry 6 (1973) 574–582; doi:10.1016/S0022-4596(73)80018-0

data_9012118
_publ_section_title
;Crystal structures and magnetic structures of some metal chromium(III)
 sulfides and selenides Locality: synthetic Sample: T = 525 K
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              574
_journal_page_last               582
_journal_paper_doi               10.1016/S0022-4596(73)80018-0
_journal_volume                  6
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_structural     AgCrSe2
_chemical_formula_sum            'Ag Cr Se2'
_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                   3.6821
_cell_length_b                   3.6821
_cell_length_c                   21.2310
_cell_formula_units_Z            3
_cell_volume                     249.283
_database_code_amcsd             0013310
_diffrn_ambient_temperature      525
_exptl_crystal_density_diffrn    6.351
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               9012118
_amcsd_formula_title             AgCrSe2
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_9012119
_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_structural     FeTi4S8
_chemical_formula_sum            'Fe S8 Ti4'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.0
_cell_angle_gamma                90
_cell_length_a                   11.854
_cell_length_b                   6.844
_cell_length_c                   11.424
_cell_formula_units_Z            4
_cell_volume                     926.815
_database_code_amcsd             0013311
_exptl_crystal_density_diffrn    3.611
_cod_original_formula_sum        'Fe Ti4 S8'
_cod_database_code               9012119
_amcsd_formula_title             FeTi4S8
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_9012120
_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_structural     FeTi3S6
_chemical_formula_sum            'Fe S6 Ti3'
_space_group_IT_number           163
_symmetry_space_group_name_Hall  '-P 3 2c'
_symmetry_space_group_name_H-M   'P -3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.937
_cell_length_b                   5.937
_cell_length_c                   11.466
_cell_formula_units_Z            2
_cell_volume                     350.007
_database_code_amcsd             0013312
_exptl_crystal_density_diffrn    3.718
_cod_original_formula_sum        'Fe Ti3 S6'
_cod_database_code               9012120
_amcsd_formula_title             FeTi3S6