LMucko/crystallography-open-database huggingface dataset:
Structures of two polymorphic forms of Cu5FeS4 Sample: metastable, twin process
Morimoto, N.; Acta Crystallographica 17 (1964) 351–360; doi:10.1107/S0365110X64000846

data_9011055
_publ_section_title
;
 Structures of two polymorphic forms of Cu5FeS4
 Sample: metastable, twin process
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              351
_journal_page_last               360
_journal_paper_doi               10.1107/S0365110X64000846
_journal_volume                  17
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu1.25 Fe0.25 S'
_chemical_name_mineral           Bornite
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'P 3* -2'
_symmetry_space_group_name_H-M   'R 3 m :R'
_cell_angle_alpha                33.53
_cell_angle_beta                 33.53
_cell_angle_gamma                33.53
_cell_length_a                   6.70
_cell_length_b                   6.70
_cell_length_c                   6.70
_cell_formula_units_Z            2
_cell_volume                     81.736
_database_code_amcsd             0009281
_exptl_crystal_density_diffrn    5.098
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Cu1.25 Fe.25 S'
_cod_database_code               9011055
The crystal structures of new forms of silicon and germanium
Kasper, J. S.; Richards, S. M.; Acta Crystallographica 17 (1964) 752–755; doi:10.1107/S0365110X64001840

data_9011056
_publ_section_title
;
 The crystal structures of new forms of silicon and germanium
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              752
_journal_page_last               755
_journal_paper_doi               10.1107/S0365110X64001840
_journal_volume                  17
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            Si
_chemical_name_mineral           Silicon
_space_group_IT_number           206
_symmetry_space_group_name_Hall  '-I 2b 2c 3'
_symmetry_space_group_name_H-M   'I a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.636
_cell_length_b                   6.636
_cell_length_c                   6.636
_cell_formula_units_Z            16
_cell_volume                     292.226
_database_code_amcsd             0009282
_exptl_crystal_density_diffrn    2.553
_cod_original_sg_symbol_H-M      'I a 3'
_cod_database_code               9011056
The crystal structures of new forms of silicon and germanium
Kasper, J. S.; Richards, S. M.; Acta Crystallographica 17 (1964) 752–755; doi:10.1107/S0365110X64001840

data_9011057
_publ_section_title
;
 The crystal structures of new forms of silicon and germanium
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              752
_journal_page_last               755
_journal_paper_doi               10.1107/S0365110X64001840
_journal_volume                  17
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            Ge
_chemical_name_mineral           Germanium
_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                   5.93
_cell_length_b                   5.93
_cell_length_c                   6.98
_cell_formula_units_Z            12
_cell_volume                     245.451
_database_code_amcsd             0009283
_exptl_crystal_density_diffrn    5.895
_cod_database_code               9011057
The crystal structure of sodium fluorosilicate
Zalkin, A.; Forrester, J. D.; Templeton, D. H.; Acta Crystallographica 17 (1964) 1408–1412; doi:10.1107/S0365110X64003516

data_9011058
_publ_section_title
;
 The crystal structure of sodium fluorosilicate
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              1408
_journal_page_last               1412
_journal_paper_doi               10.1107/S0365110X64003516
_journal_volume                  17
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F6 Na2 Si'
_chemical_name_mineral           Malladrite
_space_group_IT_number           150
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   8.859
_cell_length_b                   8.859
_cell_length_c                   5.038
_cell_formula_units_Z            3
_cell_volume                     342.419
_database_code_amcsd             0009291
_exptl_crystal_density_diffrn    2.736
_cod_original_formula_sum        'Na2 Si F6'
_cod_database_code               9011058
Structure precise de l'anhydride sulfurique
Pascard, R.; Pascard-Billy C; Acta Crystallographica 18 (1965) 830–834; doi:10.1107/S0365110X65002049

data_9011059
_publ_section_title
;
 Structure precise de l'anhydride sulfurique
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              830
_journal_page_last               834
_journal_paper_doi               10.1107/S0365110X65002049
_journal_volume                  18
_journal_year                    1965
_chemical_formula_structural     SO3
_chemical_formula_sum            'O3 S'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P -2bc 2a'
_symmetry_space_group_name_H-M   'P 21 n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.13
_cell_length_b                   10.82
_cell_length_c                   12.40
_cell_formula_units_Z            12
_cell_volume                     688.282
_database_code_amcsd             0009294
_exptl_crystal_density_diffrn    2.318
_cod_original_formula_sum        'S O3'
_cod_database_code               9011059
_amcsd_formula_title             SO3
The crystal structure of lautite, CuAsS
Craig, D. C.; Stephenson, N. C.; Acta Crystallographica 19 (1965) 543–547; doi:10.1107/S0365110X65003869

data_9011060
_publ_section_title
;
 The crystal structure of lautite, CuAsS
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              543
_journal_page_last               547
_journal_paper_doi               10.1107/S0365110X65003869
_journal_volume                  19
_journal_year                    1965
_chemical_compound_source        'Lauta, Saxony, Germany'
_chemical_formula_sum            'As Cu S'
_chemical_name_mineral           Lautite
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.35
_cell_length_b                   5.456
_cell_length_c                   3.749
_cell_formula_units_Z            4
_cell_volume                     232.159
_database_code_amcsd             0009298
_exptl_crystal_density_diffrn    4.879
_cod_original_formula_sum        'Cu As S'
_cod_database_code               9011060
The molecular and crystal structure of uric acid
Ringertz, H.; Acta Crystallographica 20 (1966) 397–403; doi:10.1107/S0365110X66000914

data_9011061
_publ_section_title
;
 The molecular and crystal structure of uric acid
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              397
_journal_page_last               403
_journal_paper_doi               10.1107/S0365110X66000914
_journal_volume                  20
_journal_year                    1966
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C5 H4 N4 O3'
_chemical_name_mineral           Uricite
_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                 65.10
_cell_angle_gamma                90
_cell_length_a                   14.464
_cell_length_b                   7.403
_cell_length_c                   6.208
_cell_formula_units_Z            4
_cell_volume                     602.943
_database_code_amcsd             0009301
_exptl_crystal_density_diffrn    1.852
_cod_database_code               9011061
A neutron diffraction analysis of the crystal structure of tetragonal nickel sulphate hexadeuterate Locality: synthetic
O'Connor B H; Dale, D. H.; Acta Crystallographica 21 (1966) 705–709; doi:10.1107/S0365110X66003748

data_9011062
_publ_section_title
;
 A neutron diffraction analysis of the crystal
 structure of tetragonal nickel sulphate hexadeuterate
 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              705
_journal_page_last               709
_journal_paper_doi               10.1107/S0365110X66003748
_journal_volume                  21
_journal_year                    1966
_chemical_formula_structural     Ni(SO4)*6D2O
_chemical_formula_sum            'D12 Ni O10 S'
_chemical_name_mineral           'Retgersite (deuterated)'
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.790
_cell_length_b                   6.790
_cell_length_c                   18.305
_cell_formula_units_Z            4
_cell_volume                     843.936
_exptl_crystal_density_diffrn    2.164
_cod_original_formula_sum        'Ni S O10 D12'
_cod_database_code               9011062
_database_code_amcsd 0009303
A refinement of the structure of S3O9
McDonald, W. S.; Cruickshank, D. W. J.; Acta Crystallographica 22 (1967) 48–51; doi:10.1107/S0365110X6700009X

data_9011063
_publ_section_title
;
 A refinement of the structure of S3O9
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              48
_journal_page_last               51
_journal_paper_doi               10.1107/S0365110X6700009X
_journal_volume                  22
_journal_year                    1967
_chemical_formula_structural     S3O9
_chemical_formula_sum            'O3 S'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P -2bc 2a'
_symmetry_space_group_name_H-M   'P 21 n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.191
_cell_length_b                   10.82
_cell_length_c                   12.384
_cell_formula_units_Z            12
_cell_volume                     695.567
_database_code_amcsd             0009304
_exptl_crystal_density_diffrn    2.294
_cod_original_formula_sum        'S O3'
_cod_database_code               9011063
_amcsd_formula_title             S3O9
Refinement of the alum structures. II. X-ray and neutron diffraction of NaAl(SO4)2*12H2O, gamma alum Locality: synthetic
Cromer, D. T.; Kay, M. I.; Larson, A. C.; Acta Crystallographica 22 (1967) 182–187; doi:10.1107/S0365110X67000313

data_9011064
_publ_section_title
;
 Refinement of the alum structures. II. X-ray and neutron diffraction of
 NaAl(SO4)2*12H2O, gamma alum
 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              182
_journal_page_last               187
_journal_paper_doi               10.1107/S0365110X67000313
_journal_volume                  22
_journal_year                    1967
_chemical_formula_sum            'Al H24 Na O20 S2'
_chemical_name_mineral           'Sodium alum'
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.213
_cell_length_b                   12.213
_cell_length_c                   12.213
_cell_volume                     1821.659
_exptl_crystal_density_diffrn    1.671
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'Na Al S2 O20 H24'
_cod_database_code               9011064
Refinement of the alum structures. II. X-ray and neutron diffraction of NaAl(SO4)2*12H2O, gamma alum Locality: synthetic
Cromer, D. T.; Kay, M. I.; Larson, A. C.; Acta Crystallographica 22 (1967) 182–187; doi:10.1107/S0365110X67000313

data_9011065
_publ_section_title
;
 Refinement of the alum structures. II. X-ray and neutron diffraction of
 NaAl(SO4)2*12H2O, gamma alum
 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              182
_journal_page_last               187
_journal_paper_doi               10.1107/S0365110X67000313
_journal_volume                  22
_journal_year                    1967
_chemical_formula_sum            'Al H24 Na O20 S2'
_chemical_name_mineral           Alum-(Na)
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.213
_cell_length_b                   12.213
_cell_length_c                   12.213
_cell_volume                     1821.659
_exptl_crystal_density_diffrn    1.671
_cod_duplicate_entry             9011064
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'Na Al S2 O20 H24'
_cod_database_code               9011065
Refinement of the crystal structure of anthraquinone
Prakash, A.; Acta Crystallographica 22 (1967) 439–440; doi:10.1107/S0365110X67000878

data_9011066
_publ_section_title
;
 Refinement of the crystal structure of anthraquinone
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              439
_journal_page_last               440
_journal_paper_doi               10.1107/S0365110X67000878
_journal_volume                  22
_journal_year                    1967
_chemical_formula_sum            'C7 H4 O'
_chemical_name_mineral           Hoelite
_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                 102.72
_cell_angle_gamma                90
_cell_length_a                   15.810
_cell_length_b                   3.942
_cell_length_c                   7.895
_cell_formula_units_Z            4
_cell_volume                     479.964
_database_code_amcsd             0009309
_exptl_crystal_density_diffrn    1.441
_cod_original_formula_sum        'C7 O H4'
_cod_database_code               9011066
The crystal structure of astrophyllite
Woodrow, P. J.; Acta Crystallographica 22 (1967) 673–678; doi:10.1107/S0365110X67001331

data_9011067
_publ_section_title
;
 The crystal structure of astrophyllite
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              673
_journal_page_last               678
_journal_paper_doi               10.1107/S0365110X67001331
_journal_volume                  22
_journal_year                    1967
_chemical_compound_source        'El Paso County, Colorado, USA'
_chemical_formula_sum
'Fe6.3 K1.8 Mn0.7 Na1.2 Nb0.2 O31 Si8 Sn0.1 Ti1.6 Zr0.1'
_chemical_name_mineral           Astrophyllite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)'
_symmetry_space_group_name_H-M   'A -1'
_cell_angle_alpha                85.13
_cell_angle_beta                 90.
_cell_angle_gamma                103.22
_cell_length_a                   5.36
_cell_length_b                   11.76
_cell_length_c                   21.07999
_cell_formula_units_Z            2
_cell_volume                     1288.607
_database_code_amcsd             0009310
_exptl_crystal_density_diffrn    3.415
_cod_original_formula_sum
'K1.8 Na1.2 (Fe6.3 Mn.7) (Ti1.6 Nb.2 Zr.1 Sn.1) Si8 O31'
_cod_database_code               9011067
A refinement of the parameters of alpha manganese Localilty: synthetic Sample: at T = 298K
Gazzara, C. P.; Middleton, R. M.; Weiss, R. J.; Hall, E. O.; Acta Crystallographica 22 (1967) 859–862; doi:10.1107/S0365110X67001689

data_9011068
_publ_section_title
;
 A refinement of the parameters of alpha manganese
 Localilty: synthetic
 Sample: at T = 298K
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              859
_journal_page_last               862
_journal_paper_doi               10.1107/S0365110X67001689
_journal_volume                  22
_journal_year                    1967
_chemical_formula_sum            Mn
_chemical_name_common            Manganese
_chemical_name_mineral           Manganese-alpha
_space_group_IT_number           217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.9125
_cell_length_b                   8.9125
_cell_length_c                   8.9125
_cell_formula_units_Z            58
_cell_volume                     707.944
_database_code_amcsd             0009311
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    7.474
_cod_database_code               9011068
The crystal structure of thomsenolite Locality: Ivigtut, Greenland
Cocco, G.; Castiglione, P. C.; Vagliasindi, G.; Acta Crystallographica 23 (1967) 162–166; doi:10.1107/S0365110X67002282

data_9011069
_publ_section_title
;
 The crystal structure of thomsenolite
 Locality: Ivigtut, Greenland
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              162
_journal_page_last               166
_journal_paper_doi               10.1107/S0365110X67002282
_journal_volume                  23
_journal_year                    1967
_chemical_formula_sum            'Al Ca F6 H2 Na O'
_chemical_name_mineral           Thomsenolite
_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                 96.43
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.583
_cell_length_b                   5.508
_cell_length_c                   16.127
_cell_volume                     492.804
_exptl_crystal_density_diffrn    2.968
_cod_duplicate_entry             9007491
_cod_original_formula_sum        'Na Ca Al F6 O H2'
_cod_database_code               9011069
A note on the structure of pinnoite
Krogh-Moe J; Acta Crystallographica 23 (1967) 500–501; doi:10.1107/S0365110X67003044

data_9011070
_publ_section_title
;
 A note on the structure of pinnoite
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              500
_journal_page_last               501
_journal_paper_doi               10.1107/S0365110X67003044
_journal_volume                  23
_journal_year                    1967
_chemical_formula_sum            'B2 H6 Mg O7'
_chemical_name_mineral           Pinnoite
_space_group_IT_number           77
_symmetry_space_group_name_Hall  'P 4c'
_symmetry_space_group_name_H-M   'P 42'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.62
_cell_length_b                   7.62
_cell_length_c                   8.19
_cell_volume                     475.547
_database_code_amcsd             0009314
_exptl_crystal_density_diffrn    2.290
_cod_original_formula_sum        'Mg B2 O7 H6'
_cod_database_code               9011070
The structure of the M'-phase of YTaO4, a third fergusonite polymorph
Wolten, G. M.; Acta Crystallographica 23 (1967) 939–944; doi:10.1107/S0365110X67004098

data_9011071
_publ_section_title
;
 The structure of the M'-phase of YTaO4, a third fergusonite polymorph
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              939
_journal_page_last               944
_journal_paper_doi               10.1107/S0365110X67004098
_journal_volume                  23
_journal_year                    1967
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O4 Ta Y'
_chemical_name_mineral           Formanite-(Y)
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2ya'
_symmetry_space_group_name_H-M   'P 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.44
_cell_angle_gamma                90
_cell_length_a                   5.292
_cell_length_b                   5.451
_cell_length_c                   5.11
_cell_formula_units_Z            2
_cell_volume                     146.476
_database_code_amcsd             0009316
_exptl_crystal_density_diffrn    7.569
_cod_original_formula_sum        'Y Ta O4'
_cod_database_code               9011071
A neutron diffraction study of ferroelectric KFCT, K4Fe(CN)6*3D2O, above the Curie temperature Locality: synthetic
Taylor, J. C.; Mueller, M. H.; Hitterman, R. L.; Acta Crystallographica, Section A 26 (1970) 559–567; doi:10.1107/S0567739470001407

data_9011072
_publ_section_title
;
 A neutron diffraction study of ferroelectric KFCT, K4Fe(CN)6*3D2O, above the
 Curie temperature
 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section A'
_journal_page_first              559
_journal_page_last               567
_journal_paper_doi               10.1107/S0567739470001407
_journal_volume                  26
_journal_year                    1970
_chemical_formula_structural     K4Fe(CN)6*3(D2O)
_chemical_formula_sum            'C6 D6 Fe K4 N6 O3'
_chemical_name_mineral           'Kafehydrocyanite (deuterated)'
_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                 90.03
_cell_angle_gamma                90
_cell_length_a                   9.415
_cell_length_b                   17.006
_cell_length_c                   9.382
_cell_formula_units_Z            4
_cell_volume                     1502.166
_exptl_crystal_density_diffrn    1.894
_cod_original_formula_sum        'K4 Fe C6 N6 O3 D6'
_cod_database_code               9011072
_database_code_amcsd 0009321
Disorder and the molecular packing of C60 buckminsterfullerene: a direct electron-crystallographic analysis Sample: room T
Dorset, D. L.; McCourt, M. P.; Acta Crystallographica, Section A 50 (1994) 344–351; doi:10.1107/S0108767393012607

data_9011073
_publ_section_title
;
 Disorder and the molecular packing of C60 buckminsterfullerene:
 a direct electron-crystallographic analysis
 Sample: room T
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica, Section A'
_journal_page_first              344
_journal_page_last               351
_journal_paper_doi               10.1107/S0108767393012607
_journal_volume                  50
_journal_year                    1994
_chemical_compound_source        Synthetic
_chemical_formula_sum            C60
_chemical_name_mineral           Buckminsterfullerene
_space_group_IT_number           202
_symmetry_space_group_name_Hall  '-F 2 2 3'
_symmetry_space_group_name_H-M   'F m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   14.26
_cell_length_b                   14.26
_cell_length_c                   14.26
_cell_formula_units_Z            4
_cell_volume                     2899.737
_database_code_amcsd             0009329
_diffrn_ambient_temperature      296(3)
_exptl_crystal_density_diffrn    1.651
_cod_original_sg_symbol_H-M      'F m 3'
_cod_database_code               9011073