LMucko/crystallography-open-database huggingface dataset:
The structures of the chromium sulphides
Jellinek, F.; Acta Crystallographica 10 (1957) 620–628; doi:10.1107/S0365110X57002200

data_9007439
_publ_section_title
;
 The structures of the chromium sulphides
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              620
_journal_page_last               628
_journal_paper_doi               10.1107/S0365110X57002200
_journal_volume                  10
_journal_year                    1957
_chemical_compound_source        Synthetic
_chemical_formula_structural     Cr5S6
_chemical_formula_sum            'Cr5 S6'
_chemical_name_mineral           Murchisite
_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                   5.982
_cell_length_b                   5.982
_cell_length_c                   11.509
_cell_formula_units_Z            2
_cell_volume                     356.665
_database_code_amcsd             0009198
_exptl_crystal_density_diffrn    4.212
_cod_database_code               9007439
The structures of the chromium sulphides
Jellinek, F.; Acta Crystallographica 10 (1957) 620–628; doi:10.1107/S0365110X57002200

data_9007440
_publ_section_title
;
 The structures of the chromium sulphides
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              620
_journal_page_last               628
_journal_paper_doi               10.1107/S0365110X57002200
_journal_volume                  10
_journal_year                    1957
_chemical_formula_structural     Cr2S3
_chemical_formula_sum            'Cr2 S3'
_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                   5.939
_cell_length_b                   5.939
_cell_length_c                   11.192
_cell_formula_units_Z            4
_cell_volume                     341.873
_database_code_amcsd             0009199
_exptl_crystal_density_diffrn    3.889
_cod_database_code               9007440
_amcsd_formula_title             Cr2S3
The structures of the chromium sulphides
Jellinek, F.; Acta Crystallographica 10 (1957) 620–628; doi:10.1107/S0365110X57002200

data_9007441
_publ_section_title
;
 The structures of the chromium sulphides
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              620
_journal_page_last               628
_journal_paper_doi               10.1107/S0365110X57002200
_journal_volume                  10
_journal_year                    1957
_chemical_formula_structural     Cr2S3
_chemical_formula_sum            'Cr2 S3'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_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                   16.698
_cell_formula_units_Z            6
_cell_volume                     509.717
_database_code_amcsd             0009200
_exptl_crystal_density_diffrn    3.913
_cod_original_sg_symbol_H-M      'R -3'
_cod_database_code               9007441
_amcsd_formula_title             Cr2S3
The structures of the chromium sulphides
Jellinek, F.; Acta Crystallographica 10 (1957) 620–628; doi:10.1107/S0365110X57002200

data_9007442
_publ_section_title
;
 The structures of the chromium sulphides
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              620
_journal_page_last               628
_journal_paper_doi               10.1107/S0365110X57002200
_journal_volume                  10
_journal_year                    1957
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cr3 S4'
_chemical_name_mineral           Brezinaite
_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                 91.50
_cell_angle_gamma                90
_cell_length_a                   5.694
_cell_length_b                   3.428
_cell_length_c                   11.272
_cell_formula_units_Z            2
_cell_volume                     219.943
_database_code_amcsd             0009201
_exptl_crystal_density_diffrn    4.292
_cod_database_code               9007442
The structures of the chromium sulphides
Jellinek, F.; Acta Crystallographica 10 (1957) 620–628; doi:10.1107/S0365110X57002200

data_9007443
_publ_section_title
;
 The structures of the chromium sulphides
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              620
_journal_page_last               628
_journal_volume                  10
_journal_year                    1957
_chemical_formula_structural     CrS
_chemical_formula_sum            'Cr S'
_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                 101.6
_cell_angle_gamma                90
_cell_length_a                   3.826
_cell_length_b                   5.913
_cell_length_c                   6.089
_cell_formula_units_Z            4
_cell_volume                     134.939
_exptl_crystal_density_diffrn    4.138
_cod_database_code               9007443
_journal_paper_doi 10.1107/S0365110X57002200
_database_code_amcsd 0009202
The crystal structure of the anhydrous sulphates of copper and zinc
Kokkoros, P. A.; Rentzeperis, P. J.; Acta Crystallographica 11 (1958) 361–364; doi:10.1107/S0365110X58000955

data_9007444
_publ_section_title
;
 The crystal structure of the anhydrous sulphates of copper and zinc
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              361
_journal_page_last               364
_journal_paper_doi               10.1107/S0365110X58000955
_journal_volume                  11
_journal_year                    1958
_chemical_formula_sum            'O4 S Zn'
_chemical_name_mineral           Zinkosite
_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                   8.58
_cell_length_b                   6.73
_cell_length_c                   4.77
_cell_formula_units_Z            4
_cell_volume                     275.436
_database_code_amcsd             0009208
_exptl_crystal_density_diffrn    3.893
_cod_original_formula_sum        'Zn S O4'
_cod_database_code               9007444
The optical properties and structures of CaO*2Al2O3 and SrO*2Al2O3
Boyko, E. R.; Wisnyi, L. G.; Acta Crystallographica 11 (1958) 444–445; doi:10.1107/S0365110X58001183

data_9007445
_publ_section_title
;
 The optical properties and structures of CaO*2Al2O3 and SrO*2Al2O3
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              444
_journal_page_last               445
_journal_paper_doi               10.1107/S0365110X58001183
_journal_volume                  11
_journal_year                    1958
_chemical_compound_source        Synthetic
_chemical_formula_structural     SrO*2(Al2O3)
_chemical_formula_sum            'Al4 O7 Sr'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.502
_cell_angle_gamma                90
_cell_length_a                   13.04
_cell_length_b                   9.01
_cell_length_c                   5.55
_cell_formula_units_Z            4
_cell_volume                     625.213
_database_code_amcsd             0009209
_exptl_crystal_density_diffrn    3.267
_cod_original_formula_sum        'Sr Al4 O7'
_cod_database_code               9007445
_amcsd_formula_title             SrO*2(Al2O3)
The optical properties and structures of CaO*2Al2O3 and SrO*2Al2O3
Boyko, E. R.; Wisnyi, L. G.; Acta Crystallographica 11 (1958) 444–445; doi:10.1107/S0365110X58001183

data_9007446
_publ_section_title
;
 The optical properties and structures of CaO*2Al2O3 and SrO*2Al2O3
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              444
_journal_page_last               445
_journal_paper_doi               10.1107/S0365110X58001183
_journal_volume                  11
_journal_year                    1958
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al4 Ca O7'
_chemical_name_mineral           Grossite
_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                 107.05
_cell_angle_gamma                90
_cell_length_a                   12.89
_cell_length_b                   8.88
_cell_length_c                   5.45
_cell_formula_units_Z            4
_cell_volume                     596.407
_database_code_amcsd             0009210
_exptl_crystal_density_diffrn    2.896
_cod_original_formula_sum        'Ca Al4 O7'
_cod_database_code               9007446
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_9007447
_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_original_formula_sum        'Ca B3 (O12 H13)'
_cod_database_code               9007447
The crystal structure of baddeleyite (monoclinic ZrO2)
McCullough, J. D.; Trueblood, K. N.; Acta Crystallographica 12 (1959) 507–511; doi:10.1107/S0365110X59001530

data_9007448
_publ_section_title
;
 The crystal structure of baddeleyite (monoclinic ZrO2)
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              507
_journal_page_last               511
_journal_paper_doi               10.1107/S0365110X59001530
_journal_volume                  12
_journal_year                    1959
_chemical_formula_sum            'O2 Zr'
_chemical_name_mineral           Baddeleyite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.25
_cell_angle_gamma                90
_cell_length_a                   5.169
_cell_length_b                   5.232
_cell_length_c                   5.341
_cell_formula_units_Z            4
_cell_volume                     142.565
_database_code_amcsd             0009231
_exptl_crystal_density_diffrn    5.741
_cod_original_formula_sum        'Zr O2'
_cod_database_code               9007448
Die kristallstruktur des betechtinit Pb2(Cu,Fe)21S15
Dornberger-Schiff K; Hohne, E.; Acta Crystallographica 12 (1959) 646–651; doi:10.1107/S0365110X59001906

data_9007449
_publ_section_title
;
 Die kristallstruktur des betechtinit Pb2(Cu,Fe)21S15
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              646
_journal_page_last               651
_journal_paper_doi               10.1107/S0365110X59001906
_journal_volume                  12
_journal_year                    1959
_chemical_formula_sum            'Cu21.332 Pb2 S15'
_chemical_name_mineral           Betekhtinite
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.86
_cell_length_b                   14.67
_cell_length_c                   22.80
_cell_formula_units_Z            2
_cell_volume                     1291.077
_database_code_amcsd             0009232
_exptl_crystal_density_diffrn    5.790
_cod_original_formula_sum        'Pb2 Cu21.332 S15'
_cod_database_code               9007449
Crystal structures of the isostructural minerals lazulite, scorzalite and barbosalite
Lindberg, M. L.; Christ, C. L.; Acta Crystallographica 12 (1959) 695–697; doi:10.1107/S0365110X5900202X

data_9007450
_publ_section_title
;
 Crystal structures of the isostructural minerals lazulite,
 scorzalite and barbosalite
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica'
_journal_page_first              695
_journal_page_last               697
_journal_paper_doi               10.1107/S0365110X5900202X
_journal_volume                  12
_journal_year                    1959
_chemical_formula_sum            'Al2 H2 Mg O10 P2'
_chemical_name_mineral           Lazulite
_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                 120.67
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.16
_cell_length_b                   7.26
_cell_length_c                   7.24
_cell_volume                     323.703
_database_code_amcsd             0009233
_exptl_crystal_density_diffrn    3.101
_cod_original_formula_sum        'Mg Al2 P2 O10 H2'
_cod_database_code               9007450
Crystal structures of the isostructural minerals lazulite, scorzalite and barbosalite
Lindberg, M. L.; Christ, C. L.; Acta Crystallographica 12 (1959) 695–697; doi:10.1107/S0365110X5900202X

data_9007451
_publ_section_title
;
 Crystal structures of the isostructural minerals lazulite,
 scorzalite and barbosalite
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica'
_journal_page_first              695
_journal_page_last               697
_journal_paper_doi               10.1107/S0365110X5900202X
_journal_volume                  12
_journal_year                    1959
_chemical_formula_sum            'Al2 Fe H2 O10 P2'
_chemical_name_mineral           Scorzalite
_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                 120.58
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.15
_cell_length_b                   7.31
_cell_length_c                   7.25
_cell_volume                     326.230
_database_code_amcsd             0009234
_exptl_crystal_density_diffrn    3.398
_cod_original_formula_sum        'Fe Al2 P2 O10 H2'
_cod_database_code               9007451
The crystal structure analysis of zirconium sulphate tetrahydrate Locality: synthetic
Singer, J.; Cromer, D. T.; Acta Crystallographica 12 (1959) 719–723; doi:10.1107/S0365110X59002134

data_9007452
_publ_section_title
;
 The crystal structure analysis of zirconium sulphate tetrahydrate
 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              719
_journal_page_last               723
_journal_paper_doi               10.1107/S0365110X59002134
_journal_volume                  12
_journal_year                    1959
_chemical_formula_sum            'H8 O12 S2 Zr'
_chemical_name_mineral           Zircosulphate
_space_group_IT_number           70
_symmetry_space_group_name_Hall  'F 2 2 -1d'
_symmetry_space_group_name_H-M   'F d d d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   25.92
_cell_length_b                   11.62
_cell_length_c                   5.532
_cell_volume                     1666.185
_cell_formula_units_Z            8
_cod_depositor_comments
;
  Z value inserted according to given formula.
  Water oxygen renamed so they are treated as oxygens.
                               Miguel.
;
_exptl_crystal_density_diffrn    2.834
_cod_original_sg_symbol_H-M      'F d d d'
_cod_original_formula_sum        'Zr S2 O12 H8'
_cod_database_code               9007452
_database_code_amcsd 0009235
The crystal structure of xanthophyllite
Takeuchi, Y.; Sadanaga, R.; Acta Crystallographica 12 (1959) 945–946; doi:10.1107/S0365110X59002705

data_9007453
_publ_section_title
;
 The crystal structure of xanthophyllite
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              945
_journal_page_last               946
_journal_paper_doi               10.1107/S0365110X59002705
_journal_volume                  12
_journal_year                    1959
_chemical_compound_source        'Chichibu mine, Japan'
_chemical_formula_sum            'Al4 Ca H2 Mg2 O12 Si'
_chemical_name_mineral           Clintonite
_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                 100.1
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.19
_cell_length_b                   9.00
_cell_length_c                   9.74
_cell_volume                     447.905
_database_code_amcsd             0009236
_exptl_crystal_density_diffrn    3.105
_cod_original_formula_sum        'Ca Mg2 Al4 Si O12 H2'
_cod_database_code               9007453
Zur kenntnis der kristallstruktur von lorandit, TlAsS2
Zemann, A.; Zemann, J.; Acta Crystallographica 12 (1959) 1002–1006; doi:10.1107/S0365110X59002833

data_9007454
_publ_section_title
;
 Zur kenntnis der kristallstruktur von lorandit, TlAsS2
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              1002
_journal_page_last               1006
_journal_paper_doi               10.1107/S0365110X59002833
_journal_volume                  12
_journal_year                    1959
_chemical_formula_sum            'As S2 Tl'
_chemical_name_mineral           Lorandite
_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                 104.2
_cell_angle_gamma                90
_cell_length_a                   12.27
_cell_length_b                   11.33
_cell_length_c                   6.11
_cell_formula_units_Z            8
_cell_volume                     823.453
_database_code_amcsd             0009237
_exptl_crystal_density_diffrn    5.540
_cod_original_formula_sum        'Tl As S2'
_cod_database_code               9007454
The crystal structure of spurrite, Ca5(SiO4)2CO3. II. Description of structure
Smith, J. V.; Karle, I. L.; Hauptman, H.; Karle, J.; Acta Crystallographica 13 (1960) 454–458; doi:10.1107/S0365110X60001096

data_9007455
_publ_section_title
;
 The crystal structure of spurrite, Ca5(SiO4)2CO3.
 II. Description of structure
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              454
_journal_page_last               458
_journal_paper_doi               10.1107/S0365110X60001096
_journal_volume                  13
_journal_year                    1960
_chemical_compound_source        'contact zone at Scawt Hill, North Ireland'
_chemical_formula_sum            'C Ca5 O11 Si2'
_chemical_name_mineral           Spurrite
_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                 101.317
_cell_angle_gamma                90
_cell_length_a                   10.49
_cell_length_b                   6.705
_cell_length_c                   14.16
_cell_formula_units_Z            4
_cell_volume                     976.585
_database_code_amcsd             0009239
_exptl_crystal_density_diffrn    3.024
_cod_original_formula_sum        'Ca5 Si2 C O11'
_cod_database_code               9007455
A note on the structure of tungsten carbide
Leciejewicz, J.; Acta Crystallographica 14 (1961) 200–200; doi:10.1107/S0365110X6100067X

data_9007456
_publ_section_title
;
 A note on the structure of tungsten carbide
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica'
_journal_page_first              200
_journal_page_last               200
_journal_paper_doi               10.1107/S0365110X6100067X
_journal_volume                  14
_journal_year                    1961
_chemical_formula_structural     WC
_chemical_formula_sum            'C W'
_chemical_name_mineral           Qusongite
_space_group_IT_number           187
_symmetry_space_group_name_Hall  'P -6 2'
_symmetry_space_group_name_H-M   'P -6 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   2.9065
_cell_length_b                   2.9065
_cell_length_c                   2.8366
_cell_formula_units_Z            1
_cell_volume                     20.752
_database_code_amcsd             0009247
_exptl_crystal_density_diffrn    15.672
_cod_original_formula_sum        'W C'
_cod_database_code               9007456
Thermal expansion of sodium fluoride and sodium bromide Note: T = 29.6 C, rocksalt structure
Deshpande, V. T.; Acta Crystallographica 14 (1961) 794–794; doi:10.1107/S0365110X61002357

data_9007457
_publ_section_title
;
 Thermal expansion of sodium fluoride and sodium bromide
 Note: T = 29.6 C, rocksalt structure
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              794
_journal_page_last               794
_journal_paper_doi               10.1107/S0365110X61002357
_journal_volume                  14
_journal_year                    1961
_chemical_formula_sum            'F Na'
_chemical_name_mineral           Villiaumite
_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                   4.6340
_cell_length_b                   4.6340
_cell_length_c                   4.6340
_cell_formula_units_Z            4
_cell_volume                     99.510
_database_code_amcsd             0009251
_diffrn_ambient_temperature      302.75
_exptl_crystal_density_diffrn    2.803
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Na F'
_cod_database_code               9007457