LMucko/crystallography-open-database huggingface dataset:
A redetermination of the crystal structure of cosalite, Pb2Bi2S5
Srikrishnan, T.; Nowacki, W.; Zeitschrift fur Kristallographie 140 (1974) 114–136; doi:

data_9008241
_publ_section_title
;
 A redetermination of the crystal structure of cosalite, Pb2Bi2S5
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              114
_journal_page_last               136
_journal_volume                  140
_journal_year                    1974
_chemical_compound_source
'Cariboo gold mines, Wells, British Columbia, Canada'
_chemical_formula_sum            'Bi4 Cu0.12 Pb4 S10'
_chemical_name_mineral           Cosalite
_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                   19.098
_cell_length_b                   23.89
_cell_length_c                   4.057
_cell_formula_units_Z            4
_cell_volume                     1851.011
_database_code_amcsd             0010765
_exptl_crystal_density_diffrn    7.152
_cod_original_formula_sum        'Bi4 Pb4 S10 Cu.12'
_cod_database_code               9008241
The crystal structure of mercury(II)phosphate, Hg3(PO4)2
Arivillius, K.; Nilsson, B. A.; Zeitschrift fur Kristallographie 141 (1975) 1–10; doi:

data_9008242
_publ_section_title
;
 The crystal structure of mercury(II)phosphate, Hg3(PO4)2
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              1
_journal_page_last               10
_journal_volume                  141
_journal_year                    1975
_chemical_formula_structural     Hg3(PO4)2
_chemical_formula_sum            'Hg3 O8 P2'
_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                 99.51
_cell_angle_gamma                90
_cell_length_a                   9.737
_cell_length_b                   11.466
_cell_length_c                   6.406
_cell_formula_units_Z            4
_cell_volume                     705.365
_database_code_amcsd             0010768
_exptl_crystal_density_diffrn    7.455
_cod_original_formula_sum        'Hg3 P2 O8'
_cod_database_code               9008242
_amcsd_formula_title             Hg3(PO4)2
Refinement of the crystal structure of zinckenite, Pb6Sb14S27 Sample: Bolivar mine, Cerro Bonete, Bolivia
Portheine, J. C.; Nowacki, W.; Zeitschrift fur Kristallographie 141 (1975) 79–96; doi:

data_9008243
_publ_section_title
;
 Refinement of the crystal structure of zinckenite, Pb6Sb14S27
 Sample: Bolivar mine, Cerro Bonete, Bolivia
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              79
_journal_page_last               96
_journal_volume                  141
_journal_year                    1975
_chemical_formula_sum            'Pb4.51 S20.25 Sb10.5'
_chemical_name_mineral           Zinkenite
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   22.148
_cell_length_b                   22.148
_cell_length_c                   4.333
_cell_formula_units_Z            2
_cell_volume                     1840.723
_database_code_amcsd             0010769
_exptl_crystal_density_diffrn    5.164
_cod_original_formula_sum        'Pb4.51 Sb10.5 S20.25'
_cod_database_code               9008243
Die kristallstruktur des silicium(IV)-acetats
Kamenar, B.; Bruvo, M.; Zeitschrift fur Kristallographie 141 (1975) 97–103; doi:

data_9008244
_publ_section_title
;
 Die kristallstruktur des silicium(IV)-acetats
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              97
_journal_page_last               103
_journal_volume                  141
_journal_year                    1975
_chemical_formula_structural     SiO8C8H12
_chemical_formula_sum            'C8 O8 Si'
_space_group_IT_number           114
_symmetry_space_group_name_Hall  'P -4 2n'
_symmetry_space_group_name_H-M   'P -4 21 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.42
_cell_length_b                   7.42
_cell_length_c                   11.34
_cell_formula_units_Z            2
_cell_volume                     624.340
_database_code_amcsd             0010770
_exptl_crystal_density_diffrn    1.341
_cod_original_formula_sum        'Si O8 C8'
_cod_database_code               9008244
_amcsd_formula_title             SiO8C8H12
Structure cristalline du trimetaphosphate CaNH4P3O9; Trimetaphosphates: CaKP3O9, CaCsP3O9 et CaNH4P3O9*3H2O Note: x(P2) adjusted to match reported bond lengths
Masse, R.; Durif, A.; Guitel, J. C.; Zeitschrift fur Kristallographie 141 (1975) 113–125; doi:

data_9008245
_publ_section_title
;
 Structure cristalline du trimetaphosphate CaNH4P3O9; Trimetaphosphates:
 CaKP3O9, CaCsP3O9 et CaNH4P3O9*3H2O
 Note: x(P2) adjusted to match reported bond lengths
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              113
_journal_page_last               125
_journal_volume                  141
_journal_year                    1975
_chemical_formula_structural     CaNH4P3O9
_chemical_formula_sum            'Ca N O9 P3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2n'
_symmetry_space_group_name_H-M   'P 1 1 21/n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90.11
_cell_formula_units_Z            4
_cell_length_a                   7.446
_cell_length_b                   12.461
_cell_length_c                   10.050
_cell_volume                     932.484
_database_code_amcsd             0010771
_exptl_crystal_density_diffrn    2.073
_cod_original_formula_sum        'Ca N P3 O9'
_cod_database_code               9008245
_amcsd_formula_title             CaNH4P3O9
Structure refinement of high-pressure Ni2SiO4 spinel
Ma, C. B.; Zeitschrift fur Kristallographie 141 (1975) 126–137; doi:

data_9008246
_publ_section_title
;
 Structure refinement of high-pressure Ni2SiO4 spinel
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              126
_journal_page_last               137
_journal_volume                  141
_journal_year                    1975
_chemical_formula_structural     Ni2SiO4
_chemical_formula_sum            'Ni2 O4 Si'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.0424
_cell_length_b                   8.0424
_cell_length_c                   8.0424
_cell_formula_units_Z            8
_cell_volume                     520.184
_database_code_amcsd             0010772
_exptl_crystal_density_diffrn    5.349
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ni2 Si) O4'
_cod_database_code               9008246
_amcsd_formula_title             Ni2SiO4
A redetermination of the crystal structure of livingstonite, HgSb4S8
Srikrishnan, T.; Nowacki, W.; Zeitschrift fur Kristallographie 141 (1975) 174–192; doi:10.1524/zkri.1975.141.3-4.174

data_9008247
_publ_section_title
;
 A redetermination of the crystal structure of livingstonite, HgSb4S8
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              174
_journal_page_last               192
_journal_paper_doi               10.1524/zkri.1975.141.3-4.174
_journal_volume                  141
_journal_year                    1975
_chemical_compound_source        'Huitzuco, Guerrero, Mexico'
_chemical_formula_sum            'Hg S8 Sb4'
_chemical_name_mineral           Livingstonite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-A 2ya'
_symmetry_space_group_name_H-M   'A 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.39
_cell_angle_gamma                90
_cell_length_a                   30.567
_cell_length_b                   4.015
_cell_length_c                   21.465
_cell_formula_units_Z            8
_cell_volume                     2562.714
_database_code_amcsd             0010773
_exptl_crystal_density_diffrn    4.894
_cod_original_formula_sum        'Hg Sb4 S8'
_cod_database_code               9008247
The structure of Cu4Bi4S9 and its relation to the structures of covellite, CuS and bismuthinite, Bi2S3
Takeuchi, Y.; Ozawa, T.; Zeitschrift fur Kristallographie 141 (1975) 217–232; doi:

data_9008248
_publ_section_title
;
 The structure of Cu4Bi4S9 and its relation to the structures of covellite,
 CuS and bismuthinite, Bi2S3
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              217
_journal_page_last               232
_journal_volume                  141
_journal_year                    1975
_chemical_formula_structural     Cu4Bi4S9
_chemical_formula_sum            'Bi4 Cu4 S9'
_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                   11.589
_cell_length_b                   32.05
_cell_length_c                   3.951
_cell_formula_units_Z            4
_cell_volume                     1467.510
_database_code_amcsd             0010774
_exptl_crystal_density_diffrn    6.240
_cod_original_formula_sum        'Cu4 Bi4 S9'
_cod_database_code               9008248
_amcsd_formula_title             Cu4Bi4S9
The crystal structure of the monoclinic Fe2(SO4)3
Christidis, P. C.; Rentzeperis, P. J.; Zeitschrift fur Kristallographie 141 (1975) 233–245; doi:

data_9008249
_publ_section_title
;
 The crystal structure of the monoclinic Fe2(SO4)3
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              233
_journal_page_last               245
_journal_volume                  141
_journal_year                    1975
_chemical_formula_structural     Fe2(SO4)3
_chemical_formula_sum            'Fe2 O12 S3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.25
_cell_angle_gamma                90
_cell_length_a                   8.2955
_cell_length_b                   8.5332
_cell_length_c                   11.6304
_cell_formula_units_Z            4
_cell_volume                     823.275
_database_code_amcsd             0010775
_exptl_crystal_density_diffrn    3.226
_cod_original_formula_sum        'Fe2 S3 O12'
_cod_database_code               9008249
_amcsd_formula_title             Fe2(SO4)3
The crystal structure of laurionite, Pb(OH)Cl
Venetopoulos, C. C.; Rentzeperis, P. J.; Zeitschrift fur Kristallographie 141 (1975) 246–259; doi:

data_9008250
_publ_section_title
;
 The crystal structure of laurionite, Pb(OH)Cl
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              246
_journal_page_last               259
_journal_volume                  141
_journal_year                    1975
_chemical_formula_sum            'Cl H O Pb'
_chemical_name_mineral           Laurionite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2ac'
_symmetry_space_group_name_H-M   'P c m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.6987
_cell_length_b                   4.0203
_cell_length_c                   7.1110
_cell_formula_units_Z            4
_cell_volume                     277.270
_database_code_amcsd             0010776
_exptl_crystal_density_diffrn    6.220
_cod_original_formula_sum        'Pb O H Cl'
_cod_database_code               9008250
Die kristallstruktur von YbFe2O4
Kato, K.; Kawada, I.; Kimizuka, N.; Katsura, T.; Zeitschrift fur Kristallographie 141 (1975) 314–320; doi:10.1524/zkri.1975.141.3-4.314

data_9008251
_publ_section_title
;
 Die kristallstruktur von YbFe2O4
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              314
_journal_page_last               320
_journal_paper_doi               10.1524/zkri.1975.141.3-4.314
_journal_volume                  141
_journal_year                    1975
_chemical_formula_structural     YbFe2O4
_chemical_formula_sum            'Fe2 O4 Yb'
_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                   3.455
_cell_length_b                   3.455
_cell_length_c                   25.054
_cell_formula_units_Z            3
_cell_volume                     259.002
_database_code_amcsd             0010777
_exptl_crystal_density_diffrn    6.707
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Yb Fe2 O4'
_cod_database_code               9008251
_amcsd_formula_title             YbFe2O4
The crystal structure of mercury(I) dihydrogenphosphate, Hg2(H2PO4)2
Nilsson, B. A.; Zeitschrift fur Kristallographie 141 (1975) 321–329; doi:

data_9008252
_publ_section_title
;
 The crystal structure of mercury(I) dihydrogenphosphate, Hg2(H2PO4)2
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              321
_journal_page_last               329
_journal_volume                  141
_journal_year                    1975
_chemical_formula_structural     Hg2(H2PO4)2
_chemical_formula_sum            'Hg O4 P'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.172
_cell_angle_gamma                90
_cell_length_a                   6.0754
_cell_length_b                   14.5034
_cell_length_c                   4.7280
_cell_formula_units_Z            4
_cell_volume                     416.303
_database_code_amcsd             0010778
_exptl_crystal_density_diffrn    4.716
_cod_original_formula_sum        'Hg P O4'
_cod_database_code               9008252
_amcsd_formula_title             Hg2(H2PO4)2
Neutron-diffraction studies of CuSO4*5(H2O) and CuSO4*5(D2O)
Bacon, G. E.; Titterton, D. H.; Zeitschrift fur Kristallographie 141 (1975) 330–341; doi:10.1524/zkri.1975.141.5-6.330

data_9008253
_publ_section_title
;
 Neutron-diffraction studies of CuSO4*5(H2O) and CuSO4*5(D2O)
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              330
_journal_page_last               341
_journal_paper_doi               10.1524/zkri.1975.141.5-6.330
_journal_volume                  141
_journal_year                    1975
_chemical_formula_sum            'Cu H10 O9 S'
_chemical_name_mineral           Chalcanthite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                82.27
_cell_angle_beta                 107.43
_cell_angle_gamma                102.67
_cell_formula_units_Z            2
_cell_length_a                   6.141
_cell_length_b                   10.736
_cell_length_c                   5.986
_cell_volume                     366.361
_database_code_amcsd             0010779
_exptl_crystal_density_diffrn    2.263
_cod_depositor_comments
;
    Z value inserted to be consistent with given formula
                               miguel
;
_cod_original_formula_sum        'Cu S O9 H10'
_cod_database_code               9008253
Neutron-diffraction studies of CuSO4*5(H2O) and CuSO4*5(D2O)
Bacon, G. E.; Titterton, D. H.; Zeitschrift fur Kristallographie 141 (1975) 330–341; doi:10.1524/zkri.1975.141.5-6.330

data_9008254
_publ_section_title
;
 Neutron-diffraction studies of CuSO4*5(H2O) and CuSO4*5(D2O)
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              330
_journal_page_last               341
_journal_paper_doi               10.1524/zkri.1975.141.5-6.330
_journal_volume                  141
_journal_year                    1975
_chemical_formula_sum            'Cu D10 O9 S'
_chemical_name_mineral           'Chalcanthite (deuterated)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                82.27
_cell_angle_beta                 107.43
_cell_angle_gamma                102.67
_cell_length_a                   6.141
_cell_length_b                   10.736
_cell_length_c                   5.986
_cell_formula_units_Z            2
_cell_volume                     366.361
_exptl_crystal_density_diffrn    2.355
_cod_original_formula_sum        'Cu S O9 D10'
_cod_database_code               9008254
_database_code_amcsd 0010780
The superstructure of stannoidite
Kudoh, Y.; Takeuchi, Y.; Zeitschrift fur Kristallographie 144 (1976) 145–160; doi:

data_9008255
_publ_section_title
;
 The superstructure of stannoidite
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              145
_journal_page_last               160
_journal_volume                  144
_journal_year                    1976
_chemical_compound_source        'Konjo mine, Japan'
_chemical_formula_sum            'Cu8 Fe2.15 S12 Sn2 Zn0.85'
_chemical_name_mineral           Stannoidite
_space_group_IT_number           23
_symmetry_space_group_name_Hall  'I 2 2'
_symmetry_space_group_name_H-M   'I 2 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.767
_cell_length_b                   5.411
_cell_length_c                   16.118
_cell_formula_units_Z            2
_cell_volume                     939.038
_database_code_amcsd             0010783
_exptl_crystal_density_diffrn    4.620
_cod_original_formula_sum        'Zn.85 Fe2.15 Cu8 Sn2 S12'
_cod_database_code               9008255
The crystal structure of chlorotionite, CuK2Cl2SO4
Giacovazzo, C.; Scandale, E.; Scordari, F.; Zeitschrift fur Kristallographie 144 (1976) 226–237; doi:

data_9008256
_publ_section_title
;
 The crystal structure of chlorotionite, CuK2Cl2SO4
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              226
_journal_page_last               237
_journal_volume                  144
_journal_year                    1976
_chemical_compound_source        '1906 eruption of Vesuvius, Italy'
_chemical_formula_sum            'Cl2 Cu K2 O4 S'
_chemical_name_mineral           Chlorothionite
_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                   7.732
_cell_length_b                   6.078
_cell_length_c                   16.292
_cell_formula_units_Z            4
_cell_volume                     765.644
_database_code_amcsd             0010784
_exptl_crystal_density_diffrn    2.678
_cod_original_formula_sum        'Cu K2 Cl2 S O4'
_cod_database_code               9008256
Die kristallstruktur von imhofit, Tl5.6As15S25.3
Divjakovic, V.; Nowacki, W.; Zeitschrift fur Kristallographie 144 (1976) 323–333; doi:10.1524/zkri.1976.144.1-6.323

data_9008257
_publ_section_title
;
 Die kristallstruktur von imhofit, Tl5.6As15S25.3
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              323
_journal_page_last               333
_journal_paper_doi               10.1524/zkri.1976.144.1-6.323
_journal_volume                  144
_journal_year                    1976
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As3.75 S6.33 Tl1.4'
_chemical_name_mineral           Imhofite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.28
_cell_angle_gamma                90
_cell_length_a                   8.755
_cell_length_b                   24.425
_cell_length_c                   5.739
_cell_formula_units_Z            4
_cell_volume                     1165.301
_database_code_amcsd             0010785
_exptl_crystal_density_diffrn    4.389
_cod_original_cell_volume        1165.300
_cod_original_formula_sum        'Tl1.4 As3.75 S6.33'
_cod_database_code               9008257
The crystal structure of rhombohedral Fe2(SO4)3 Sample: synthetic
Christidis, P. C.; Rentzeperis, P. J.; Zeitschrift fur Kristallographie 144 (1976) 341–352; doi:

data_9008258
_publ_section_title
;
 The crystal structure of rhombohedral Fe2(SO4)3
 Sample: synthetic
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              341
_journal_page_last               352
_journal_volume                  144
_journal_year                    1976
_chemical_formula_sum            'Fe2 O12 S3'
_chemical_name_mineral           Mikasaite
_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                   8.2362
_cell_length_b                   8.2362
_cell_length_c                   22.1786
_cell_formula_units_Z            6
_cell_volume                     1302.922
_database_code_amcsd             0010786
_exptl_crystal_density_diffrn    3.058
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Fe2 S3 O12'
_cod_database_code               9008258
The crystal structure of synthetic christite, HgTlAsS3
Brown, K. L.; Dickson, F. W.; Zeitschrift fur Kristallographie 144 (1976) 367–376; doi:10.1524/zkri.1976.144.1-6.367

data_9008259
_publ_section_title
;
 The crystal structure of synthetic christite, HgTlAsS3
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              367
_journal_page_last               376
_journal_paper_doi               10.1524/zkri.1976.144.1-6.367
_journal_volume                  144
_journal_year                    1976
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As Hg S3 Tl'
_chemical_name_mineral           Christite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.71
_cell_angle_gamma                90
_cell_length_a                   6.113
_cell_length_b                   16.188
_cell_length_c                   6.111
_cell_formula_units_Z            4
_cell_volume                     600.585
_database_code_amcsd             0010787
_exptl_crystal_density_diffrn    6.371
_cod_original_formula_sum        'Tl Hg As S3'
_cod_database_code               9008259