LMucko/crystallography-open-database huggingface dataset:
Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Sample: pure sample
Geller, S.; Wernick, J. H.; Acta Crystallographica 12 (1959) 46–54; doi:10.1107/S0365110X59000135

data_9011019
_publ_section_title
;Ternary semiconducting compounds with sodium chloride-like structure:
 AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Sample: pure sample
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              46
_journal_page_last               54
_journal_paper_doi               10.1107/S0365110X59000135
_journal_volume                  12
_journal_year                    1959
_chemical_formula_structural     AgBiSe2
_chemical_formula_sum            'Ag0.5 Bi0.5 Se'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.82
_cell_length_b                   5.82
_cell_length_c                   5.82
_cell_formula_units_Z            4
_cell_volume                     197.137
_database_code_amcsd             0009213
_exptl_crystal_density_diffrn    7.998
_cod_original_formula_sum        '(Ag.5 Bi.5) Se'
_cod_database_code               9011019
_amcsd_formula_title             AgBiSe2
Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Sample: solid solution extrapolation
Geller, S.; Wernick, J. H.; Acta Crystallographica 12 (1959) 46–54; doi:10.1107/S0365110X59000135

data_9011020
_publ_section_title
;Ternary semiconducting compounds with sodium chloride-like structure:
 AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Sample: solid solution extrapolation
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              46
_journal_page_last               54
_journal_paper_doi               10.1107/S0365110X59000135
_journal_volume                  12
_journal_year                    1959
_chemical_formula_structural     AgBiSe2
_chemical_formula_sum            'Ag0.5 Bi0.5 Se'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.832
_cell_length_b                   5.832
_cell_length_c                   5.832
_cell_formula_units_Z            4
_cell_volume                     198.359
_database_code_amcsd             0009214
_exptl_crystal_density_diffrn    7.949
_cod_original_formula_sum        '(Ag.5 Bi.5) Se'
_cod_database_code               9011020
_amcsd_formula_title             AgBiSe2
Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Sample: quenched from T = 300 C
Geller, S.; Wernick, J. H.; Acta Crystallographica 12 (1959) 46–54; doi:10.1107/S0365110X59000135

data_9011021
_publ_section_title
;Ternary semiconducting compounds with sodium chloride-like structure:
 AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Sample: quenched from T = 300 C
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              46
_journal_page_last               54
_journal_paper_doi               10.1107/S0365110X59000135
_journal_volume                  12
_journal_year                    1959
_chemical_formula_structural     AgBiSe2
_chemical_formula_sum            'Ag0.5 Bi0.5 Se'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.887
_cell_length_b                   5.887
_cell_length_c                   5.887
_cell_formula_units_Z            4
_cell_volume                     204.024
_database_code_amcsd             0009215
_exptl_crystal_density_diffrn    7.728
_exptl_crystal_thermal_history   'quenched from T = 300 C'
_cod_original_formula_sum        '(Ag.5 Bi.5) Se'
_cod_database_code               9011021
_amcsd_formula_title             AgBiSe2
Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Sample: quenched from T = 240 C
Geller, S.; Wernick, J. H.; Acta Crystallographica 12 (1959) 46–54; doi:10.1107/S0365110X59000135

data_9011022
_publ_section_title
;Ternary semiconducting compounds with sodium chloride-like structure:
 AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Sample: quenched from T = 240 C
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              46
_journal_page_last               54
_journal_paper_doi               10.1107/S0365110X59000135
_journal_volume                  12
_journal_year                    1959
_chemical_formula_structural     AgBiSe2
_chemical_formula_sum            'Ag Bi Se2'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                34.50
_cell_angle_beta                 34.50
_cell_angle_gamma                34.50
_cell_length_a                   7.022
_cell_length_b                   7.022
_cell_length_c                   7.022
_cell_formula_units_Z            1
_cell_volume                     99.098
_database_code_amcsd             0009216
_exptl_crystal_density_diffrn    7.956
_exptl_crystal_thermal_history   'quenched from T = 240 C'
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               9011022
_amcsd_formula_title             AgBiSe2
Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Locality: synthetic
Geller, S.; Wernick, J. H.; Acta Crystallographica 12 (1959) 46–54; doi:10.1107/S0365110X59000135

data_9011023
_publ_section_title
;Ternary semiconducting compounds with sodium chloride-like structure:
 AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              46
_journal_page_last               54
_journal_paper_doi               10.1107/S0365110X59000135
_journal_volume                  12
_journal_year                    1959
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ag Bi Se2'
_chemical_name_mineral           Bohdanowiczite
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.18
_cell_length_b                   4.18
_cell_length_c                   19.67
_cell_formula_units_Z            3
_cell_volume                     297.637
_database_code_amcsd             0009217
_exptl_crystal_density_diffrn    7.946
_cod_database_code               9011023
Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2
Geller, S.; Wernick, J. H.; Acta Crystallographica 12 (1959) 46–54; doi:10.1107/S0365110X59000135

data_9011024
_publ_section_title
;Ternary semiconducting compounds with sodium chloride-like structure:
 AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              46
_journal_page_last               54
_journal_paper_doi               10.1107/S0365110X59000135
_journal_volume                  12
_journal_year                    1959
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ag Bi S2'
_chemical_name_mineral           Matildite
_space_group_IT_number           164
_space_group_name_Hall           '-P 3 2"'
_space_group_name_H-M_alt        'P -3 m 1'
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.07
_cell_length_b                   4.07
_cell_length_c                   19.06
_cell_formula_units_Z            3
_cell_volume                     273.428
_database_code_amcsd             0009218
_exptl_crystal_density_diffrn    6.941
_exptl_crystal_thermal_history   'after annealing at 152 deg C for 15 days'
_cod_database_code               9011024
Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Locality: synthetic
Geller, S.; Wernick, J. H.; Acta Crystallographica 12 (1959) 46–54; doi:10.1107/S0365110X59000135

data_9011025
_publ_section_title
;Ternary semiconducting compounds with sodium chloride-like structure:
 AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              46
_journal_page_last               54
_journal_paper_doi               10.1107/S0365110X59000135
_journal_volume                  12
_journal_year                    1959
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ag0.5 Bi0.5 S'
_chemical_name_mineral           Schapbachite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.648
_cell_length_b                   5.648
_cell_formula_units_Z            4
_cell_length_c                   5.648
_cell_volume                     180.171
_database_code_amcsd             0009219
_exptl_crystal_density_diffrn    7.023
_cod_original_formula_sum        '(Ag.5 Bi.5) S'
_cod_database_code               9011025
Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Locality: synthetic Sample: quenched from T = 200 C
Geller, S.; Wernick, J. H.; Acta Crystallographica 12 (1959) 46–54; doi:10.1107/S0365110X59000135

data_9011026
_publ_section_title
;Ternary semiconducting compounds with sodium chloride-like structure:
 AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Locality: synthetic Sample: quenched from T
 = 200 C
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              46
_journal_page_last               54
_journal_paper_doi               10.1107/S0365110X59000135
_journal_volume                  12
_journal_year                    1959
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ag0.5 Bi0.5 S'
_chemical_name_mineral           Schapbachite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.682
_cell_formula_units_Z            4
_cell_length_b                   5.682
_cell_length_c                   5.682
_cell_volume                     183.444
_database_code_amcsd             0009220
_exptl_crystal_density_diffrn    6.897
_exptl_crystal_thermal_history   'quenched from T = 200 C'
_cod_original_formula_sum        '(Ag.5 Bi.5) S'
_cod_database_code               9011026
Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Locality: synthetic Sample: quenched from T = 243 C
Geller, S.; Wernick, J. H.; Acta Crystallographica 12 (1959) 46–54; doi:10.1107/S0365110X59000135

data_9011027
_publ_section_title
;Ternary semiconducting compounds with sodium chloride-like structure:
 AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Locality: synthetic Sample: quenched from T
 = 243 C
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              46
_journal_page_last               54
_journal_paper_doi               10.1107/S0365110X59000135
_journal_volume                  12
_journal_year                    1959
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ag0.5 Bi0.5 S'
_chemical_name_mineral           Schapbachite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.693
_cell_formula_units_Z            4
_cell_length_b                   5.693
_cell_length_c                   5.693
_cell_volume                     184.512
_database_code_amcsd             0009221
_exptl_crystal_density_diffrn    6.857
_exptl_crystal_thermal_history   'quenched from T = 243 C'
_cod_original_formula_sum        '(Ag.5 Bi.5) S'
_cod_database_code               9011027
Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2
Geller, S.; Wernick, J. H.; Acta Crystallographica 12 (1959) 46–54; doi:10.1107/S0365110X59000135

data_9011028
_publ_section_title
;Ternary semiconducting compounds with sodium chloride-like structure:
 AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              46
_journal_page_last               54
_journal_paper_doi               10.1107/S0365110X59000135
_journal_volume                  12
_journal_year                    1959
_chemical_formula_structural     AgSbSe2
_chemical_formula_sum            'Ag0.5 Sb0.5 Se'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.786
_cell_length_b                   5.786
_cell_length_c                   5.786
_cell_formula_units_Z            4
_cell_volume                     193.703
_database_code_amcsd             0009222
_exptl_crystal_density_diffrn    6.644
_cod_original_formula_sum        '(Ag.5 Sb.5) Se'
_cod_database_code               9011028
_amcsd_formula_title             AgSbSe2
Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2
Geller, S.; Wernick, J. H.; Acta Crystallographica 12 (1959) 46–54; doi:10.1107/S0365110X59000135

data_9011029
_publ_section_title
;Ternary semiconducting compounds with sodium chloride-like structure:
 AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              46
_journal_page_last               54
_journal_paper_doi               10.1107/S0365110X59000135
_journal_volume                  12
_journal_year                    1959
_chemical_compound_source        Synthetic
_chemical_formula_structural     AgSbS2
_chemical_formula_sum            'Ag0.5 S Sb0.5'
_chemical_name_mineral           Cuboargyrite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.647
_cell_formula_units_Z            4
_cell_length_b                   5.647
_cell_length_c                   5.647
_cell_volume                     180.075
_database_code_amcsd             0009223
_exptl_crystal_density_diffrn    5.418
_cod_original_formula_sum        '(Ag.5 Sb.5) S'
_cod_database_code               9011029
Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2
Geller, S.; Wernick, J. H.; Acta Crystallographica 12 (1959) 46–54; doi:10.1107/S0365110X59000135

data_9011030
_publ_section_title
;Ternary semiconducting compounds with sodium chloride-like structure:
 AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              46
_journal_page_last               54
_journal_paper_doi               10.1107/S0365110X59000135
_journal_volume                  12
_journal_year                    1959
_chemical_formula_structural     AgSbTe2
_chemical_formula_sum            'Ag0.5 Sb0.5 Te'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.078
_cell_length_b                   6.078
_cell_length_c                   6.078
_cell_formula_units_Z            4
_cell_volume                     224.534
_database_code_amcsd             0009224
_exptl_crystal_density_diffrn    7.171
_cod_original_formula_sum        '(Ag.5 Sb.5) Te'
_cod_database_code               9011030
_amcsd_formula_title             AgSbTe2
Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2
Geller, S.; Wernick, J. H.; Acta Crystallographica 12 (1959) 46–54; doi:10.1107/S0365110X59000135

data_9011031
_publ_section_title
;Ternary semiconducting compounds with sodium chloride-like structure:
 AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              46
_journal_page_last               54
_journal_paper_doi               10.1107/S0365110X59000135
_journal_volume                  12
_journal_year                    1959
_chemical_formula_structural     AgBiTe2
_chemical_formula_sum            'Ag0.5 Bi0.5 Te'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.155
_cell_length_b                   6.155
_cell_length_c                   6.155
_cell_formula_units_Z            4
_cell_volume                     233.176
_database_code_amcsd             0009225
_exptl_crystal_density_diffrn    8.148
_cod_original_formula_sum        '(Ag.5 Bi.5) Te'
_cod_database_code               9011031
_amcsd_formula_title             AgBiTe2
Studies of borate minerals IV. The structure of inyoite, CaB3O3(OH)5*4H2O
Clark, J. R.; Acta Crystallographica 12 (1959) 162–170; doi:10.1107/S0365110X59000457

data_9011032
_publ_section_title
;
 Studies of borate minerals IV. The structure of inyoite, CaB3O3(OH)5*4H2O
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              162
_journal_page_last               170
_journal_paper_doi               10.1107/S0365110X59000457
_journal_volume                  12
_journal_year                    1959
_chemical_formula_sum            'B3 Ca H13 O12'
_chemical_name_mineral           Inyoite
_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                 114
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.63
_cell_length_b                   12.06
_cell_length_c                   8.405
_cell_volume                     984.348
_database_code_amcsd             0009226
_exptl_crystal_density_diffrn    1.873
_cod_duplicate_entry             9007447
_cod_original_formula_sum        'Ca B3 (O12 H13)'
_cod_database_code               9011032
Coefficients of thermal expansion for face-centered cubic and body-centered cubic calcium Sample: at T = 26 C
Bernstein, B. T.; Smith, J. F.; Acta Crystallographica 12 (1959) 419–420; doi:10.1107/S0365110X59001268

data_9011033
_publ_section_title
;
 Coefficients of thermal expansion for face-centered cubic and
 body-centered cubic calcium
 Sample: at T = 26 C
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              419
_journal_page_last               420
_journal_paper_doi               10.1107/S0365110X59001268
_journal_volume                  12
_journal_year                    1959
_chemical_compound_source        Synthetic
_chemical_formula_sum            Ca
_chemical_name_common            Calcium
_chemical_name_mineral           Calcium
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.5884
_cell_length_b                   5.5884
_cell_length_c                   5.5884
_cell_formula_units_Z            4
_cell_volume                     174.527
_database_code_amcsd             0009227
_diffrn_ambient_temperature      299.15
_exptl_crystal_density_diffrn    1.525
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9011033
Coefficients of thermal expansion for face-centered cubic and body-centered cubic calcium Sample: at T = 467 C
Bernstein, B. T.; Smith, J. F.; Acta Crystallographica 12 (1959) 419–420; doi:10.1107/S0365110X59001268

data_9011034
_publ_section_title
;
 Coefficients of thermal expansion for face-centered cubic and
 body-centered cubic calcium
 Sample: at T = 467 C
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              419
_journal_page_last               420
_journal_paper_doi               10.1107/S0365110X59001268
_journal_volume                  12
_journal_year                    1959
_chemical_compound_source        Synthetic
_chemical_formula_sum            Ca
_chemical_name_common            Calcium
_chemical_name_mineral           Calcium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.480
_cell_length_b                   4.480
_cell_length_c                   4.480
_cell_formula_units_Z            2
_cell_volume                     89.915
_database_code_amcsd             0009228
_diffrn_ambient_temperature      740.15
_exptl_crystal_density_diffrn    1.480
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011034
The crystal structure of hexagonal CaAl2Si2O8
Takeuchi, Y.; Donnay, G.; Acta Crystallographica 12 (1959) 465–470; doi:10.1107/S0365110X59001396

data_9011035
_publ_section_title
;
 The crystal structure of hexagonal CaAl2Si2O8
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              465
_journal_page_last               470
_journal_paper_doi               10.1107/S0365110X59001396
_journal_volume                  12
_journal_year                    1959
_chemical_formula_sum            'Al2 Ca O8 Si2'
_chemical_name_mineral           Dmisteinbergite
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.10
_cell_length_b                   5.10
_cell_length_c                   14.72
_cell_formula_units_Z            2
_cell_volume                     331.573
_database_code_amcsd             0009229
_exptl_crystal_density_diffrn    2.787
_cod_original_formula_sum        'Ca (Al2 Si2) O8'
_cod_database_code               9011035