LMucko/crystallography-open-database huggingface dataset:
On the structure of vaterite, CaCO3
Kamhi, S. R.; Acta Crystallographica 16 (1963) 770–772; doi:10.1107/S0365110X63002000

data_9007475
_publ_section_title
;
 On the structure of vaterite, CaCO3
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              770
_journal_page_last               772
_journal_paper_doi               10.1107/S0365110X63002000
_journal_volume                  16
_journal_year                    1963
_chemical_compound_source        'Synthetic, preferred structure model'
_chemical_formula_sum            'C Ca O3'
_chemical_name_mineral           Vaterite
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.13
_cell_length_b                   4.13
_cell_length_c                   8.49
_cell_formula_units_Z            2
_cell_volume                     125.412
_database_code_amcsd             0009279
_exptl_crystal_density_diffrn    2.650
_cod_original_formula_sum        'Ca C O3'
_cod_database_code               9007475
The crystal structure and hydrogen bonding of magnesium sulfate hexahydrate
Zalkin, A.; Ruben, H.; Templeton, D. H.; Acta Crystallographica 17 (1964) 235–240; doi:10.1107/S0365110X64000603

data_9007476
_publ_section_title
;
 The crystal structure and hydrogen bonding of magnesium sulfate hexahydrate
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica'
_journal_page_first              235
_journal_page_last               240
_journal_paper_doi               10.1107/S0365110X64000603
_journal_volume                  17
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H12 Mg O10 S'
_chemical_name_mineral           Hexahydrite
_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                 98.30
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.110
_cell_length_b                   7.212
_cell_length_c                   24.41
_cell_volume                     1761.172
_database_code_amcsd             0009280
_exptl_crystal_density_diffrn    1.723
_cod_depositor_comments
;
  Z value inserted to be consistent with given formula
                               Miguel.
;
_cod_original_formula_sum        'Mg S O10 H12'
_cod_database_code               9007476
The crystal structure of quartz-like GeO2 Note: polymorph of argutite
Smith, G. S.; Isaacs, P. B.; Acta Crystallographica 17 (1964) 842–846; doi:10.1107/S0365110X64002262

data_9007477
_publ_section_title
;
 The crystal structure of quartz-like GeO2
 Note: polymorph of argutite
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              842
_journal_page_last               846
_journal_paper_doi               10.1107/S0365110X64002262
_journal_volume                  17
_journal_year                    1964
_chemical_formula_structural     GeO2
_chemical_formula_sum            'Ge O2'
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.987
_cell_length_b                   4.987
_cell_length_c                   5.652
_cell_formula_units_Z            3
_cell_volume                     121.734
_database_code_amcsd             0009284
_exptl_crystal_density_diffrn    4.281
_cod_database_code               9007477
_amcsd_formula_title             GeO2
A redetermination of the structure of miargyrite, AgSbS2
Knowles, C. R.; Acta Crystallographica 17 (1964) 847–851; doi:10.1107/S0365110X64002274

data_9007478
_publ_section_title
;
 A redetermination of the structure of miargyrite, AgSbS2
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              847
_journal_page_last               851
_journal_paper_doi               10.1107/S0365110X64002274
_journal_volume                  17
_journal_year                    1964
_chemical_compound_source        'Braunsdorf, Saxony'
_chemical_formula_sum            'Ag S2 Sb'
_chemical_name_mineral           Miargyrite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.63
_cell_angle_gamma                90
_cell_length_a                   12.862
_cell_length_b                   4.411
_cell_length_c                   13.220
_cell_formula_units_Z            8
_cell_volume                     741.535
_database_code_amcsd             0009285
_exptl_crystal_density_diffrn    5.262
_cod_original_formula_sum        'Ag Sb S2'
_cod_database_code               9007478
The crystal structure of brewsterite, (Sr,Ba,Ca)(Al2Si6O16)*5H2O Note: zeolite
Perrotta, A. J.; Smith, J. V.; Acta Crystallographica 17 (1964) 857–862; doi:10.1107/S0365110X64002298

data_9007479
_publ_section_title
;
 The crystal structure of brewsterite, (Sr,Ba,Ca)(Al2Si6O16)*5H2O
 Note: zeolite
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              857
_journal_page_last               862
_journal_paper_doi               10.1107/S0365110X64002298
_journal_volume                  17
_journal_year                    1964
_chemical_compound_source        'Strontian, Argyll, Scotland'
_chemical_formula_sum            'Al1.98 Ba0.3 Ca0.14 H8 O20.9 Si6.02 Sr0.58'
_chemical_name_mineral           Brewsterite-Sr
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.30
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.772
_cell_length_b                   17.51
_cell_length_c                   7.744
_cell_volume                     915.681
_database_code_amcsd             0009286
_exptl_crystal_density_diffrn    2.403
_cod_original_formula_sum        'Sr.58 Ba.3 Ca.14 Al1.98 Si6.02 O20.9 H8'
_cod_database_code               9007479
On the crystal chemistry of salt hydrates. II. A neutron diffraction study of MgSO4*4H2O
Baur, W. H.; Acta Crystallographica 17 (1964) 863–869; doi:10.1107/S0365110X64002304

data_9007480
_publ_section_title
;
 On the crystal chemistry of salt hydrates.
 II. A neutron diffraction study of MgSO4*4H2O
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica'
_journal_page_first              863
_journal_page_last               869
_journal_paper_doi               10.1107/S0365110X64002304
_journal_volume                  17
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H8 Mg O8 S'
_chemical_name_mineral           Starkeyite
_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                 90.85
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.922
_cell_length_b                   13.604
_cell_length_c                   7.905
_cell_volume                     636.780
_database_code_amcsd             0009287
_exptl_crystal_density_diffrn    2.007
_cod_depositor_comments
;
  Z value inserted to be consistent with given formula
                               Miguel.
;
_cod_original_formula_sum        'Mg S O8 H8'
_cod_database_code               9007480
The crystal structure of hydrozincite, Zn5(OH)6(CO3)2
Ghose, S.; Acta Crystallographica 17 (1964) 1051–1057; doi:10.1107/S0365110X64002651

data_9007481
_publ_section_title
;
 The crystal structure of hydrozincite, Zn5(OH)6(CO3)2
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              1051
_journal_page_last               1057
_journal_paper_doi               10.1107/S0365110X64002651
_journal_volume                  17
_journal_year                    1964
_chemical_compound_source        'Goodsprings, Nevada, USA'
_chemical_formula_sum            'C2 H6 O12 Zn5'
_chemical_name_mineral           Hydrozincite
_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                 95.833
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.62
_cell_length_b                   6.30
_cell_length_c                   5.42
_cell_volume                     462.661
_database_code_amcsd             0009288
_exptl_crystal_density_diffrn    3.941
_cod_original_formula_sum        'Zn5 C2 O12 H6'
_cod_database_code               9007481
On the crystal chemistry of salt hydrates. III. The determination of the crystal structure of FeSO4*7H2O (melanterite) Locality: synthetic
Baur, W. H.; Acta Crystallographica 17 (1964) 1167–1174; doi:10.1107/S0365110X64003000

data_9007482
_publ_section_title
;On the crystal chemistry of salt hydrates. III. The determination of the
 crystal structure of FeSO4*7H2O (melanterite) Locality: synthetic
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              1167
_journal_page_last               1174
_journal_paper_doi               10.1107/S0365110X64003000
_journal_volume                  17
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe H14 O11 S'
_chemical_name_mineral           Melanterite
_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                 105.57
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.072
_cell_length_b                   6.503
_cell_length_c                   11.041
_cell_volume                     973.287
_database_code_amcsd             0009289
_exptl_crystal_density_diffrn    1.897
_cod_depositor_comments
;
  Z value inserted to be consistent with given formula
   Water oxygen renamed so they are recognized as such
                               Miguel.
;
_cod_original_formula_sum        'Fe S O11 H14'
_cod_database_code               9007482
On the crystal chemistry of salt hydrates. IV. The refinement of the crystal structure of MgSO4*7H2O (epsomite) Note: Mg z-coordinate altered in order to reproduce Mg-O bond lengths
Baur, W. H.; Acta Crystallographica 17 (1964) 1361–1369; doi:10.1107/S0365110X64003449

data_9007483
_publ_section_title
;
 On the crystal chemistry of salt hydrates. IV. The refinement of the crystal
 structure of MgSO4*7H2O (epsomite)
 Note: Mg z-coordinate altered in order to reproduce Mg-O bond lengths
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica'
_journal_page_first              1361
_journal_page_last               1369
_journal_paper_doi               10.1107/S0365110X64003449
_journal_volume                  17
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H14 Mg O11 S'
_chemical_name_mineral           Epsomite
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.868
_cell_length_b                   11.996
_cell_length_c                   6.857
_cell_volume                     976.221
_database_code_amcsd             0009290
_exptl_crystal_density_diffrn    1.677
_cod_depositor_comments
;
  Z value inserted to be consistent with given formula
   Water oxygen renamed so they are recognized as such
                               Miguel.
;
_cod_original_formula_sum        'Mg S O11 H14'
_cod_database_code               9007483
Ueber die struktur des vanthoffits
Fischer, W.; Hellner, E.; Acta Crystallographica 17 (1964) 1613–1613; doi:10.1107/S0365110X6400398X

data_9007484
_publ_section_title
;
 Ueber die struktur des vanthoffits
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              1613
_journal_page_last               1613
_journal_paper_doi               10.1107/S0365110X6400398X
_journal_volume                  17
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg Na6 O16 S4'
_chemical_name_mineral           Vanthoffite
_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                 113.5
_cell_angle_gamma                90
_cell_length_a                   9.797
_cell_length_b                   9.217
_cell_length_c                   8.199
_cell_formula_units_Z            2
_cell_volume                     678.956
_database_code_amcsd             0009292
_exptl_crystal_density_diffrn    2.673
_cod_original_formula_sum        'Na6 Mg S4 O16'
_cod_database_code               9007484
The crystal structure of baddeleyite (monoclinic ZrO2) and its relation to the polymorphism of ZrO2
Smith, D. K.; Newkirk, H. W.; Acta Crystallographica 18 (1965) 983–991; doi:10.1107/S0365110X65002402

data_9007485
_publ_section_title
;
 The crystal structure of baddeleyite (monoclinic ZrO2)
 and its relation to the polymorphism of ZrO2
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              983
_journal_page_last               991
_journal_paper_doi               10.1107/S0365110X65002402
_journal_volume                  18
_journal_year                    1965
_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                 99.23
_cell_angle_gamma                90
_cell_length_a                   5.145
_cell_length_b                   5.2075
_cell_length_c                   5.3107
_cell_formula_units_Z            4
_cell_volume                     140.445
_database_code_amcsd             0009296
_exptl_crystal_density_diffrn    5.828
_cod_original_formula_sum        'Zr O2'
_cod_database_code               9007485
A three-dimensional refinement of the structure of crocoite, PbCrO4
Quareni, S.; De Pieri, R.; Acta Crystallographica 19 (1965) 287–289; doi:10.1107/S0365110X65003304

data_9007486
_publ_section_title
;
 A three-dimensional refinement of the structure of crocoite, PbCrO4
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              287
_journal_page_last               289
_journal_paper_doi               10.1107/S0365110X65003304
_journal_volume                  19
_journal_year                    1965
_chemical_formula_sum            'Cr O4 Pb'
_chemical_name_mineral           Crocoite
_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                 102.42
_cell_angle_gamma                90
_cell_length_a                   7.120
_cell_length_b                   7.430
_cell_length_c                   6.790
_cell_formula_units_Z            4
_cell_volume                     350.796
_database_code_amcsd             0009297
_exptl_crystal_density_diffrn    6.120
_cod_original_formula_sum        'Pb Cr O4'
_cod_database_code               9007486
The crystal structure of bavenite
Cannillo, E.; Coda, A.; Fagnani, G.; Acta Crystallographica 20 (1966) 301–309; doi:10.1107/S0365110X66000586

data_9007487
_publ_section_title
;
 The crystal structure of bavenite
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              301
_journal_page_last               309
_journal_paper_doi               10.1107/S0365110X66000586
_journal_volume                  20
_journal_year                    1966
_chemical_formula_sum            'Al2 Be2 Ca4 H2 O28 Si9'
_chemical_name_mineral           Bavenite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   23.19
_cell_length_b                   5.005
_cell_length_c                   19.39
_cell_formula_units_Z            4
_cell_volume                     2250.519
_database_code_amcsd             0009299
_exptl_crystal_density_diffrn    2.760
_cod_original_formula_sum        'Ca4 Be2 Al2 Si9 O28 H2'
_cod_database_code               9007487
Etude par diffraction des rayons X et absorption infra-rouge de la barysilite, MnPb8.3Si2O7, et de composes isomorphes
Lajzerowicz, J.; Acta Crystallographica 20 (1965) 357–363; doi:10.1107/S0365110X66000847

data_9007488
_publ_section_title
;
 Etude par diffraction des rayons X et absorption infra-rouge
 de la barysilite, MnPb8.3Si2O7, et de composes isomorphes
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              357
_journal_page_last               363
_journal_paper_doi               10.1107/S0365110X66000847
_journal_volume                  20
_journal_year                    1965
_chemical_formula_sum            'Mn O21 Pb8 Si6'
_chemical_name_mineral           Barysilite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.821
_cell_length_b                   9.821
_cell_length_c                   38.38
_cell_formula_units_Z            6
_cell_volume                     3205.878
_database_code_amcsd             0009300
_exptl_crystal_density_diffrn    6.890
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Pb8 Mn Si6 O21'
_cod_database_code               9007488
Refinement of the crystal structure of euchroite, Cu2(AsO4)(OH)*3H2O
Finney, J. J.; Acta Crystallographica 21 (1966) 437–440; doi:10.1107/S0365110X66003104

data_9007489
_publ_section_title
;
 Refinement of the crystal structure of euchroite, Cu2(AsO4)(OH)*3H2O
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              437
_journal_page_last               440
_journal_paper_doi               10.1107/S0365110X66003104
_journal_volume                  21
_journal_year                    1966
_chemical_formula_sum            'As Cu2 H7 O8'
_chemical_name_mineral           Euchroite
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.063
_cell_length_b                   10.522
_cell_length_c                   6.107
_cell_volume                     646.627
_database_code_amcsd             0009302
_exptl_crystal_density_diffrn    3.462
_cod_original_formula_sum        'Cu2 As (O8 H7)'
_cod_database_code               9007489
Verfeinerung der kristallstruktur des malachits, Cu2(OH)2CO3
Susse, P.; Acta Crystallographica 22 (1967) 146–151; doi:10.1107/S0365110X67000222

data_9007490
_publ_section_title
;
 Verfeinerung der kristallstruktur des malachits, Cu2(OH)2CO3
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              146
_journal_page_last               151
_journal_paper_doi               10.1107/S0365110X67000222
_journal_volume                  22
_journal_year                    1967
_chemical_formula_sum            'C H2 Cu2 O5'
_chemical_name_mineral           Malachite
_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                 98.75
_cell_angle_gamma                90
_cell_length_a                   9.502
_cell_length_b                   11.974
_cell_length_c                   3.240
_cell_formula_units_Z            4
_cell_volume                     364.347
_database_code_amcsd             0009305
_exptl_crystal_density_diffrn    4.031
_cod_original_formula_sum        'Cu2 O5 H2 C'
_cod_database_code               9007490
The crystal structure of thomsenolite
Cocco, G.; Castiglione, P. C.; Vagliasindi, G.; Acta Crystallographica 23 (1967) 162–166; doi:10.1107/S0365110X67002282

data_9007491
_publ_section_title
;
 The crystal structure of thomsenolite
;
_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_compound_source        'Ivigtut, Greenland'
_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
_database_code_amcsd             0009312
_exptl_crystal_density_diffrn    2.968
_cod_original_formula_sum        'Na Ca Al F6 O H2'
_cod_database_code               9007491
A new structure type with octahedron pairs for Rh2S3,Rh2Se3 and Ir2S3
Parthe, E.; Hohnke, D.; Hulliger, F.; Acta Crystallographica 23 (1967) 832–840; doi:10.1107/S0365110X67003767

data_9007492
_publ_section_title
;
 A new structure type with octahedron pairs for Rh2S3,Rh2Se3 and Ir2S3
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              832
_journal_page_last               840
_journal_paper_doi               10.1107/S0365110X67003767
_journal_volume                  23
_journal_year                    1967
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Rh2 S3'
_chemical_name_mineral           Bowieite
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.462
_cell_length_b                   5.985
_cell_length_c                   6.138
_cell_formula_units_Z            4
_cell_volume                     310.859
_database_code_amcsd             0009315
_exptl_crystal_density_diffrn    6.453
_cod_database_code               9007492