LMucko/crystallography-open-database huggingface dataset:
Ueber die Kristallstruktur des Graphits.
Hassel, O; Zeitschrift fuer Physik 25 (1924) 317–337; doi:10.1007/BF01327534

data_1011060
_publ_section_title              'Ueber die Kristallstruktur des Graphits.'
_journal_coden_ASTM              ZEPYAA
_journal_name_full               'Zeitschrift fuer Physik'
_journal_page_first              317
_journal_page_last               337
_journal_paper_doi               10.1007/BF01327534
_journal_volume                  25
_journal_year                    1924
_chemical_compound_source        'from Kropfm}hl, Bavaria'
_chemical_formula_structural     C4
_chemical_formula_sum            C
_chemical_name_mineral           'Graphite 2H'
_chemical_name_systematic        Carbon
_space_group_IT_number           186
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            4
_cell_length_a                   2.47
_cell_length_b                   2.47
_cell_length_c                   6.79
_cell_volume                     35.9
_exptl_crystal_density_meas      2.16
_cod_duplicate_entry             1200017
_cod_database_code               1011060
Die Anordnung der Atome in den tetragonalen Kristallen der einwertigen Quecksilberhalogenide Hg2 Cl2, Hg2 Br2, Hg2 J2. Berechnung der optischen Doppelbrechung von Hg2 Cl2.
Hylleraas, E; Zeitschrift fuer Physik 36 (1926) 859–896; doi:10.1007/BF01400219

data_1011061
_publ_section_title
;
Die Anordnung der Atome in den tetragonalen Kristallen der einwertigen
Quecksilberhalogenide Hg2 Cl2, Hg2 Br2, Hg2 J2. Berechnung der
optischen Doppelbrechung von Hg2 Cl2.
;
_journal_coden_ASTM              ZEPYAA
_journal_name_full               'Zeitschrift fuer Physik'
_journal_page_first              859
_journal_page_last               896
_journal_paper_doi               10.1007/BF01400219
_journal_volume                  36
_journal_year                    1926
_chemical_formula_structural     'Hg2 Br2'
_chemical_formula_sum            'Br2 Hg2'
_chemical_name_mineral           Kuzminite
_chemical_name_systematic        'Mercury(I) bromide'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.623
_cell_length_b                   6.623
_cell_length_c                   11.18
_cell_volume                     490.4
_exptl_crystal_density_meas      7.6
_cod_database_code               1011061
The Crystal Structure of Nacrite Al2 O3 * 2Si O2 * 2H2 O and the Polymorphism of the Kaolin Minerals.
Hendricks, S B; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 100 (1939) 509–518; doi:

data_1011062
_publ_section_title
;
The Crystal Structure of Nacrite Al2 O3 * 2Si O2 * 2H2 O and the
Polymorphism of the Kaolin Minerals.
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              509
_journal_page_last               518
_journal_volume                  100
_journal_year                    1939
_chemical_compound_source
;
from St. Peters Dome, Pike's peak, Colorado, USA
;
_chemical_formula_structural     'Al2 (Si2 O5) (O H)4'
_chemical_formula_sum            'Al2 H4 O9 Si2'
_chemical_name_mineral           'Nacrite 6M'
_chemical_name_systematic
;
Dialuminium phyllo-disilicate tetrahydroxide
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 90.33(17)
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   8.94(2)
_cell_length_b                   5.14(2)
_cell_length_c                   43.0(2)
_cell_volume                     1975.9
_cod_original_formula_sum        'H4 Al2 O9 Si2'
_cod_database_code               1011062
The Structure of Ice II
McFarlan, Ronald L.; The Journal of Chemical Physics 4 (1936) 60–64; doi:10.1063/1.1749748

data_1011063
_publ_section_title              'The Structure of Ice II'
_journal_coden_ASTM              JCPSA6
_journal_issue                   1
_journal_name_full               'The Journal of Chemical Physics'
_journal_page_first              60
_journal_page_last               64
_journal_paper_doi               10.1063/1.1749748
_journal_volume                  4
_journal_year                    1936
_chemical_compound_source        synthetic
_chemical_formula_structural     'H2 O'
_chemical_formula_sum            'H2 O'
_chemical_name_mineral           'Ice II ?'
_chemical_name_systematic        'Dihydrogen oxide - ice II'
_space_group_IT_number           20
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      20
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.8
_cell_length_b                   4.5
_cell_length_c                   5.56
_cell_volume                     195.2
_cod_database_code               1011063
Die Kristallstruktur von Perowskit und verwandter Verbindungen
Barth, T; Norsk Geologisk Tidsskrift 8 (1925) 201–219; doi:

data_1011064
_publ_section_title
;
Die Kristallstruktur von Perowskit und verwandter Verbindungen
;
_journal_coden_ASTM              NOGTAO
_journal_name_full               'Norsk Geologisk Tidsskrift'
_journal_page_first              201
_journal_page_last               219
_journal_volume                  8
_journal_year                    1925
_chemical_compound_source        'synthetic in molten Na2CO3'
_chemical_formula_structural     'Na (Nb O3)'
_chemical_formula_sum            'Na Nb O3'
_chemical_name_mineral           Lueshite
_chemical_name_systematic        'Sodium niobate'
_space_group_IT_number           221
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.906(20)
_cell_length_b                   3.906
_cell_length_c                   3.906
_cell_volume                     59.6
_exptl_crystal_density_meas      4.53
_cod_database_code               1011064
The Crystal Structure of ammonium, potassium and rubidium cupric chloride dihydrates
Hendricks, S B; Dickinson, R G; Journal of the American Chemical Society 49 (1927) 2149–2162; doi:10.1021/ja01408a005

data_1011065
_publ_section_title
;
The Crystal Structure of ammonium, potassium and rubidium cupric
chloride dihydrates
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2149
_journal_page_last               2162
_journal_paper_doi               10.1021/ja01408a005
_journal_volume                  49
_journal_year                    1927
_chemical_compound_source        synthetic
_chemical_formula_structural     'K2 (Cu Cl4) (H2 O)2'
_chemical_formula_sum            'Cl4 Cu H4 K2 O2'
_chemical_name_mineral           Mitscherlichite
_chemical_name_systematic        'Potassium tetrachlorocuprate dihydrate'
_space_group_IT_number           136
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.45
_cell_length_b                   7.45
_cell_length_c                   7.88
_cell_volume                     437.4
_exptl_crystal_density_meas      2.41
_cod_original_formula_sum        'H4 Cl4 Cu K2 O2'
_cod_database_code               1011065
_cod_depositor_comments
;
 Removing dummy H atoms since the hydrogen atoms they represent are already
 marked using the _atom_site_attached_hydrogens data item.

 Antanas Vaitkus,
 2017-09-11
;
Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO3
Zachariasen, W H; Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse 1928 (1928) 1–165; doi:

data_1011066
_publ_section_title
;
Untersuchungen ueber die Kristallstruktur von Sesquioxyden und
Verbindungen ABO3
;
_journal_coden_ASTM              SUNVAQ
_journal_name_full
;
Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk-
Naturvidenskapelig Klasse
;
_journal_page_first              1
_journal_page_last               165
_journal_volume                  1928
_journal_year                    1928
_chemical_compound_source        synthetic
_chemical_formula_structural     'V2 O3'
_chemical_formula_sum            'O3 V2'
_chemical_name_mineral           Karelianite
_chemical_name_systematic        'Vanadium(III) oxide'
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3* 2n'
_symmetry_space_group_name_H-M   'R -3 c :R'
_cell_angle_alpha                53.82(13)
_cell_angle_beta                 53.82(13)
_cell_angle_gamma                53.82(13)
_cell_formula_units_Z            2
_cell_length_a                   5.46(3)
_cell_length_b                   5.46(3)
_cell_length_c                   5.46(3)
_cell_volume                     98.5
_exptl_crystal_density_meas      4.87
_cod_original_sg_symbol_H-M      'R -3 c R'
_cod_database_code               1011066
Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO3
Zachariasen, W H; Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk- Naturvidenskapelig Klasse 1928 (1928) 1–165; doi:

data_1011067
_publ_section_title
;
Untersuchungen ueber die Kristallstruktur von Sesquioxyden und
Verbindungen ABO3
;
_journal_coden_ASTM              SUNVAQ
_journal_name_full
;
Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk-
Naturvidenskapelig Klasse
;
_journal_page_first              1
_journal_page_last               165
_journal_volume                  1928
_journal_year                    1928
_chemical_compound_source        synthetic
_chemical_formula_structural     'Cr2 O3'
_chemical_formula_sum            'Cr2 O3'
_chemical_name_mineral           Eskolaite
_chemical_name_systematic        'Chromium oxide'
_space_group_IT_number           167
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3* 2n'
_symmetry_space_group_name_H-M   'R -3 c :R'
_cell_angle_alpha                55.00(3)
_cell_angle_beta                 55.00(3)
_cell_angle_gamma                55.00(3)
_cell_formula_units_Z            2
_cell_length_a                   5.35(3)
_cell_length_b                   5.35(3)
_cell_length_c                   5.35(3)
_cell_volume                     95.7
_exptl_crystal_density_meas      5.22
_cod_original_sg_symbol_H-M      'R -3 c R'
_cod_database_code               1011067
Ueber die Kristallstrukturen der Kryolithgruppe
Menzer, G; Fortschritte der Mineralogie 17 (1932) 61–61; doi:

data_1011068
_publ_section_title
;
Ueber die Kristallstrukturen der Kryolithgruppe
;
_journal_coden_ASTM              FMRLAL
_journal_name_full               'Fortschritte der Mineralogie'
_journal_page_first              61
_journal_page_last               61
_journal_volume                  17
_journal_year                    1932
_chemical_compound_source        synthetic
_chemical_formula_structural     'K2 Na Al F6'
_chemical_formula_sum            'Al F6 K2 Na'
_chemical_name_mineral           Elpasolite
_chemical_name_systematic        'Dipotassium sodium hexafluoroaluminate'
_space_group_IT_number           205
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_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                   8.09(2)
_cell_length_b                   8.09(2)
_cell_length_c                   8.09(2)
_cell_volume                     529.5
_exptl_crystal_density_meas      2.99
_cod_database_code               1011068
Crystal structure of the mercurous halides
Havighurst, R J; American Journal of Science, Serie 5(1,1921-1938) 10 (1925) 15–28; doi:

data_1011069
_publ_section_title              'Crystal structure of the mercurous halides'
_journal_coden_ASTM              AJSC5L
_journal_name_full
;
American Journal of Science, Serie 5(1,1921-1938)
;
_journal_page_first              15
_journal_page_last               28
_journal_volume                  10
_journal_year                    1925
_chemical_formula_structural     'Hg2 Cl2'
_chemical_formula_sum            'Cl2 Hg2'
_chemical_name_mineral           Calomel
_chemical_name_systematic        'Mercury(I) chloride'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.47
_cell_length_b                   4.47
_cell_length_c                   10.89
_cell_volume                     217.6
_exptl_crystal_density_meas      7.1
_cod_database_code               1011069
Crystal structure of the mercurous halides
Havighurst, R J; American Journal of Science, Serie 5(1,1921-1938) 10 (1925) 15–28; doi:

data_1011070
_publ_section_title              'Crystal structure of the mercurous halides'
_journal_coden_ASTM              AJSC5L
_journal_name_full
;
American Journal of Science, Serie 5(1,1921-1938)
;
_journal_page_first              15
_journal_page_last               28
_journal_volume                  10
_journal_year                    1925
_chemical_formula_structural     'Hg2 Br2'
_chemical_formula_sum            'Br2 Hg2'
_chemical_name_mineral           Kuzminite
_chemical_name_systematic        'Mercury(I) bromide'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.66
_cell_length_b                   4.66
_cell_length_c                   11.12
_cell_volume                     241.5
_exptl_crystal_density_meas      7.31
_cod_database_code               1011070
Die Kristallstruktur von Eulytin
Menzer, G; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 78 (1931) 136–163; doi:

data_1011071
_publ_section_title              'Die Kristallstruktur von Eulytin'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              136
_journal_page_last               163
_journal_volume                  78
_journal_year                    1931
_chemical_compound_source        'from Schneeberg, Saxony'
_chemical_formula_structural     'Bi4 (Si O4)3'
_chemical_formula_sum            'Bi4 O12 Si3'
_chemical_name_mineral           Eulytine
_chemical_name_systematic        'Tetrabismuth tris(silicate)'
_space_group_IT_number           220
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.272(4)
_cell_length_b                   10.272(4)
_cell_length_c                   10.272(4)
_cell_volume                     1083.8
_exptl_crystal_density_meas      6.11
_cod_database_code               1011071
The structure of Euclase H Be Al Si O5
Biscoe, J; Warren, B E; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 86 (1933) 292–297; doi:

data_1011072
_publ_section_title              'The structure of Euclase H Be Al Si O5'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              292
_journal_page_last               297
_journal_volume                  86
_journal_year                    1933
_chemical_formula_structural     'Be Al (Si O4) (O H)'
_chemical_formula_sum            'Al Be H O5 Si'
_chemical_name_mineral           Euclase
_chemical_name_systematic        'Beryllium aluminium silicate hydroxide'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 79.73
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.62
_cell_length_b                   14.24
_cell_length_c                   4.75
_cell_volume                     307.5
_cod_original_formula_sum        'H Al Be O5 Si'
_cod_database_code               1011072
Die Kristallstrukturen der Trioxide von Chrom, Molybdaen und Wolfram
Braekken, H; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 78 (1931) 484–489; doi:

data_1011073
_publ_section_title
;
Die Kristallstrukturen der Trioxide von Chrom, Molybdaen und Wolfram
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              484
_journal_page_last               489
_journal_volume                  78
_journal_year                    1931
_chemical_compound_source        synthetic
_chemical_formula_structural     'Mo O3'
_chemical_formula_sum            'Mo O3'
_chemical_name_mineral           Molybdite
_chemical_name_systematic        'Molybdenum trioxide'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_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_formula_units_Z            4
_cell_length_a                   3.954(5)
_cell_length_b                   13.825(5)
_cell_length_c                   3.694(5)
_cell_volume                     201.9
_exptl_crystal_density_meas      4.7
_cod_database_code               1011073
Ueber den Feinbau des Gipses
Onorato, E; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 71 (1929) 277–325; doi:

data_1011074
_publ_section_title              'Ueber den Feinbau des Gipses'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              277
_journal_page_last               325
_journal_volume                  71
_journal_year                    1929
_chemical_formula_structural     'Ca (S O4) (H2 O)2'
_chemical_formula_sum            'Ca H4 O6 S'
_chemical_name_mineral           Gypsum
_chemical_name_systematic        'Calcium sulfate dihydrate'
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 98.97
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.47
_cell_length_b                   15.15
_cell_length_c                   6.28
_cell_volume                     984.0
_exptl_crystal_density_meas      2.31
_cod_original_formula_sum        'H4 Ca O6 S'
_cod_database_code               1011074
The crystal stuctures of mercuric and mercurous iodides
Huggins, M L; Magill, P L; Journal of the American Chemical Society 49 (1927) 2357–2367; doi:10.1021/ja01409a003

data_1011075
_publ_section_title
;
The crystal stuctures of mercuric and mercurous iodides
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2357
_journal_page_last               2367
_journal_paper_doi               10.1021/ja01409a003
_journal_volume                  49
_journal_year                    1927
_chemical_compound_source        synthetic
_chemical_formula_structural     'Hg2 I2'
_chemical_formula_sum            'Hg2 I2'
_chemical_name_mineral           Moschelite
_chemical_name_systematic        'Dimercury(I) iodide'
_space_group_IT_number           119
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      119
_symmetry_space_group_name_Hall  'I -4 -2'
_symmetry_space_group_name_H-M   'I -4 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.92
_cell_length_b                   4.92
_cell_length_c                   11.64
_cell_volume                     281.8
_exptl_crystal_density_meas      7.7
_cod_database_code               1011075
Parameters in crystal structure. The mercurous halides
Havighurst, R J; Journal of the American Chemical Society 48 (1926) 2113–2130; doi:10.1021/ja01419a016

data_1011076
_publ_section_title
;
Parameters in crystal structure. The mercurous halides
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2113
_journal_page_last               2130
_journal_paper_doi               10.1021/ja01419a016
_journal_volume                  48
_journal_year                    1926
_chemical_formula_structural     'Hg2 Cl2'
_chemical_formula_sum            'Cl2 Hg2'
_chemical_name_mineral           Calomel
_chemical_name_systematic        'Mercury(I) chloride'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.47
_cell_length_b                   4.47
_cell_length_c                   10.89
_cell_volume                     217.6
_exptl_crystal_density_meas      7.1
_cod_database_code               1011076