LMucko/crystallography-open-database huggingface dataset:
Structures of Complex Fluorides. Potassium Hexafluogermanate and Ammonium Hexafluogermanate
Hoard, J L; Vincent, W B; Journal of the American Chemical Society 61 (1939) 2849–2852; doi:10.1021/ja01265a082

data_1010101
_publ_section_title
;
Structures of Complex Fluorides. Potassium Hexafluogermanate and
Ammonium Hexafluogermanate
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2849
_journal_page_last               2852
_journal_paper_doi               10.1021/ja01265a082
_journal_volume                  61
_journal_year                    1939
_chemical_formula_structural     'K2 Ge F6'
_chemical_formula_sum            'F6 Ge K2'
_chemical_name_systematic        'Potassium hexafluorogermanate'
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.62(1)
_cell_length_b                   5.62(1)
_cell_length_c                   4.65(1)
_cell_volume                     127.2
_exptl_crystal_density_meas      3.32
_cod_database_code               1010101
Ytructures of Complex Fluorides. Potassium Hexafluogermanate and Ammonium Hexafluogermanate
Hoard, J L; Vincent, W B; Journal of the American Chemical Society 61 (1939) 2849–2852; doi:10.1021/ja01265a082

data_1010102
_publ_section_title
;
Ytructures of Complex Fluorides. Potassium Hexafluogermanate and
Ammonium Hexafluogermanate
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2849
_journal_page_last               2852
_journal_paper_doi               10.1021/ja01265a082
_journal_volume                  61
_journal_year                    1939
_chemical_formula_structural     '(N H4)2 Ge F6'
_chemical_formula_sum            'F6 Ge H8 N2'
_chemical_name_systematic        'Ammonium hexafluorogermanate'
_space_group_IT_number           164
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.85(1)
_cell_length_b                   5.85(1)
_cell_length_c                   4.775(10)
_cell_volume                     141.5
_exptl_crystal_density_meas      2.64
_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
;
_cod_original_formula_sum        'H8 F6 Ge N2'
_cod_database_code               1010102
The Structure of Potassium Molybdocyanide Dihydrate. The Configuration of the Molybdenum Octocyanide Group
Hoard, J. L.; Nordsieck, H. H.; Journal of the American Chemical Society 61 (1939) 2853–2863; doi:10.1021/ja01265a083

data_1010103
_publ_section_title
;
 The Structure of Potassium Molybdocyanide Dihydrate. The Configuration
 of the Molybdenum Octocyanide Group
;
_journal_coden_ASTM              JACSAT
_journal_issue                   10
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2853
_journal_page_last               2863
_journal_paper_doi               10.1021/ja01265a083
_journal_volume                  61
_journal_year                    1939
_chemical_formula_structural     'K4 (Mo (C N)8) (H2 O)2'
_chemical_formula_sum            'C8 H4 K4 Mo N8 O2'
_chemical_name_systematic        'Potassium octacyanomolybdate(IV) dihydrate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_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_formula_units_Z            4
_cell_length_a                   16.55
_cell_length_b                   11.7
_cell_length_c                   8.68
_cell_volume                     1680.8
_exptl_crystal_density_meas      1.94
_cod_database_code               1010103
The Structure of β Alumina
Bragg, W. L.; Gottfried, C.; West, J.; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 77 (1931) 255–274; doi:10.1524/zkri.1931.77.1.255

data_1010104
_publ_section_title              'The Structure of \b Alumina'
_journal_coden_ASTM              ZEKGAX
_journal_issue                   1-6
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              255
_journal_page_last               274
_journal_paper_doi               10.1524/zkri.1931.77.1.255
_journal_volume                  77
_journal_year                    1931
_chemical_formula_structural     'Na Al23 O35'
_chemical_formula_sum            'Al23 Na O35'
_chemical_name_systematic        'Sodium aluminium oxide (1/23/35)'
_space_group_IT_number           194
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_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_formula_units_Z            1
_cell_length_a                   5.56
_cell_length_b                   5.56
_cell_length_c                   22.55
_cell_volume                     603.7
_exptl_crystal_density_meas      3.3(1)
_cod_database_code               1010104
Praezisionsbestimmung der Gitterkonstanten von As~2~ O~3~
Lihl, F; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 81 (1932) 142–147; doi:

data_1010105
_publ_section_title
;
Praezisionsbestimmung der Gitterkonstanten von As~2~ O~3~
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              142
_journal_page_last               147
_journal_volume                  81
_journal_year                    1932
_chemical_formula_structural     'As2 O3'
_chemical_formula_sum            'As2 O3'
_chemical_name_systematic        'Arsenic oxide'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   11.0457(2)
_cell_length_b                   11.0457(2)
_cell_length_c                   11.0457(2)
_cell_volume                     1347.7
_cod_original_sg_symbol_H-M      'F d -3 m S'
_cod_database_code               1010105
The Crystal Structure of Beryllium Sulphate Tetrahydrate, Be S O~4~ (H~2~ O)~4~
Beevers, C A; Lipson, H; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 82 (1932) 297–308; doi:

data_1010106
_publ_section_title
;
The Crystal Structure of Beryllium Sulphate Tetrahydrate, Be S O~4~
(H~2~ O)~4~
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              297
_journal_page_last               308
_journal_volume                  82
_journal_year                    1932
_chemical_formula_structural     'Be S O4 (H2 O)4'
_chemical_formula_sum            'Be H8 O8 S'
_chemical_name_systematic        'Beryllium sulfate tetrahydrate'
_space_group_IT_number           120
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      120
_symmetry_space_group_name_Hall  'I -4 -2c'
_symmetry_space_group_name_H-M   'I -4 c 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.02(2)
_cell_length_b                   8.02(2)
_cell_length_c                   10.75(2)
_cell_volume                     691.4
_cod_original_formula_sum        'H8 Be O8 S'
_cod_database_code               1010106
Spinel structures: with and without variate atom equipoints
Barth, T F W; Posnjak, E; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 82 (1932) 325–341; doi:

data_1010107
_publ_section_title
;
Spinel structures: with and without variate atom equipoints
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              325
_journal_page_last               341
_journal_volume                  82
_journal_year                    1932
_chemical_formula_structural     'Mg Ga2 O4'
_chemical_formula_sum            'Ga2 Mg O4'
_chemical_name_systematic        'Magnesium digallium oxide'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.26(1)
_cell_length_b                   8.26(1)
_cell_length_c                   8.26(1)
_cell_volume                     563.6
_cod_original_sg_symbol_H-M      'F d -3 m S'
_cod_database_code               1010107
Spinel structures: with and without variate atom equipoints
Barth, T F W; Posnjak, E; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 82 (1932) 325–341; doi:

data_1010108
_publ_section_title
;
Spinel structures: with and without variate atom equipoints
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              325
_journal_page_last               341
_journal_volume                  82
_journal_year                    1932
_chemical_formula_structural     'Mg In2 O4'
_chemical_formula_sum            'In2 Mg O4'
_chemical_name_systematic        'Magnesium diindium oxide'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.81(1)
_cell_length_b                   8.81(1)
_cell_length_c                   8.81(1)
_cell_volume                     683.8
_cod_original_sg_symbol_H-M      'F d -3 m S'
_cod_database_code               1010108
Spinel structures: with and without variate atom equipoints
Barth, T F W; Posnjak, E; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 82 (1932) 325–341; doi:

data_1010109
_publ_section_title
;
Spinel structures: with and without variate atom equipoints
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              325
_journal_page_last               341
_journal_volume                  82
_journal_year                    1932
_chemical_formula_structural     'Fe2 Ti O4'
_chemical_formula_sum            'Fe2 O4 Ti'
_chemical_name_systematic        'Diiron titanium oxide'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.50(1)
_cell_length_b                   8.50(1)
_cell_length_c                   8.50(1)
_cell_volume                     614.1
_cod_original_sg_symbol_H-M      'F d -3 m S'
_cod_database_code               1010109
Spinel structures: with and without variate atom equipoints
Barth, T F W; Posnjak, E; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 82 (1932) 325–341; doi:

data_1010110
_publ_section_title
;
Spinel structures: with and without variate atom equipoints
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              325
_journal_page_last               341
_journal_volume                  82
_journal_year                    1932
_chemical_formula_structural     'Zn2 Sn O4'
_chemical_formula_sum            'O4 Sn Zn2'
_chemical_name_systematic        'Dizinc tin(IV) oxide'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.61(1)
_cell_length_b                   8.61(1)
_cell_length_c                   8.61(1)
_cell_volume                     638.3
_cod_original_sg_symbol_H-M      'F d -3 m S'
_cod_database_code               1010110
Silicate structures of the cristobalite type: II. The crystal structure of Na~2~ Ca Si O~4~
Barth, T. F. W.; Posnjak, E.; Zeitschrift für Kristallographie - Crystalline Materials 81 (1932) 370–375; doi:10.1524/zkri.1932.81.1.370

data_1010111
_publ_section_title
;
Silicate structures of the cristobalite type: II. The crystal structure
of Na~2~ Ca Si O~4~
;
_journal_coden_ASTM              ZEKGAX
_journal_issue                   1
_journal_name_full
;
Zeitschrift f\"ur Kristallographie - Crystalline Materials
;
_journal_page_first              370
_journal_page_last               375
_journal_paper_doi               10.1524/zkri.1932.81.1.370
_journal_volume                  81
_journal_year                    1932
_chemical_formula_structural     'Na2 Ca Si O4'
_chemical_formula_sum            'Ca Na2 O4 Si'
_chemical_name_systematic        'Disodium calcium silicate'
_space_group_IT_number           198
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.48(1)
_cell_length_b                   7.48(1)
_cell_length_c                   7.48(1)
_cell_volume                     418.5
_cod_database_code               1010111
Tetrossido di antimonio e antimoniati
Natta, G; Baccaredda, M; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 85 (1933) 271–296; doi:

data_1010112
_publ_section_title              'Tetrossido di antimonio e antimoniati'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              271
_journal_page_last               296
_journal_volume                  85
_journal_year                    1933
_chemical_formula_structural     'Sb2 O4'
_chemical_formula_sum            'O4 Sb2'
_chemical_name_systematic        'Antimony(III) antimony(V) oxide'
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   10.24
_cell_length_b                   10.24
_cell_length_c                   10.24
_cell_volume                     1073.7
_database_code_amcsd             0010511
_exptl_crystal_density_diffrn    7.609
_cod_original_sg_symbol_H-M      'F d -3 m S'
_cod_database_code               1010112
_amcsd_formula_title             Sb2O4
The Structure of Strontium and Barium Peroxides, Sr O~2~ and Ba O~2~
Bernal, J D; Djatlowa, E; Kasarnowsky, P; Reichstein, S; Ward, A G; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 92 (1935) 344–354; doi:

data_1010113
_publ_section_title
;
The Structure of Strontium and Barium Peroxides, Sr O~2~ and Ba O~2~
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              344
_journal_page_last               354
_journal_volume                  92
_journal_year                    1935
_chemical_formula_structural     'Ba O2'
_chemical_formula_sum            'Ba O2'
_chemical_name_systematic        'Barium peroxide'
_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                   3.78
_cell_length_b                   3.78
_cell_length_c                   6.77
_cell_volume                     96.7
_exptl_crystal_density_meas      5.43
_cod_database_code               1010113
The Structure of Strontium and Barium Peroxides, Sr O~2~ and Ba O~2~
Bernal, J D; Djatlowa, E; Kasarnowsky, I; Reichstein, S; Ward, A G; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 92 (1935) 344–354; doi:

data_1010114
_publ_section_title
;
The Structure of Strontium and Barium Peroxides, Sr O~2~ and Ba O~2~
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              344
_journal_page_last               354
_journal_volume                  92
_journal_year                    1935
_chemical_formula_structural     'Sr O2'
_chemical_formula_sum            'O2 Sr'
_chemical_name_systematic        'Strontium peroxide'
_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                   3.55
_cell_length_b                   3.55
_cell_length_c                   6.55
_cell_volume                     82.5
_exptl_crystal_density_meas      4.45
_cod_database_code               1010114
Crystal Structures of Hydrated Compounds. II. Structure Type Mg (Cl O~4~)~2~ (H~2~ O)~6~
West, C D; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 91 (1935) 480–493; doi:

data_1010115
_publ_section_title
;
Crystal Structures of Hydrated Compounds. II. Structure Type Mg (Cl
O~4~)~2~ (H~2~ O)~6~
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              480
_journal_page_last               493
_journal_volume                  91
_journal_year                    1935
_chemical_formula_structural     'Mg (Cl O4)2 (H2 O)6'
_chemical_formula_sum            'Cl2 H12 Mg O14'
_chemical_name_systematic        'Magnesium chlorate(VII) hexahydrate'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      31
_symmetry_space_group_name_H-M   'P m n 21 S'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.76
_cell_length_b                   13.46
_cell_length_c                   5.26
_cell_volume                     549.4
_cod_original_formula_sum        'H12 Cl2 Mg O14'
_cod_database_code               1010115
Sul polimorfismo di MnSe
Baroni, A.; Zeitschrift für Kristallographie - Crystalline Materials 99 (1938) 336–339; doi:10.1524/zkri.1938.99.1.336

data_1010116
_publ_section_title
;
 Sul polimorfismo di MnSe
;
_journal_coden_ASTM              ZEKGAX
_journal_issue                   1-6
_journal_name_full
;
 Zeitschrift f\"ur Kristallographie - Crystalline Materials
;
_journal_page_first              336
_journal_page_last               339
_journal_paper_doi               10.1524/zkri.1938.99.1.336
_journal_volume                  99
_journal_year                    1938
_chemical_formula_structural     'Mn Se'
_chemical_formula_sum            'Mn Se'
_chemical_name_systematic        'Manganese selenide - $-alpha'
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.44
_cell_length_b                   5.44
_cell_length_c                   5.44
_cell_volume                     161.0
_cod_database_code               1010116
Sul polimorfismo di MnSe
Baroni, A.; Zeitschrift für Kristallographie - Crystalline Materials 99 (1938) 336–339; doi:10.1524/zkri.1938.99.1.336

data_1010117
_publ_section_title
;
 Sul polimorfismo di MnSe
;
_journal_coden_ASTM              ZEKGAX
_journal_issue                   1-6
_journal_name_full
;
 Zeitschrift f\"ur Kristallographie - Crystalline Materials
;
_journal_page_first              336
_journal_page_last               339
_journal_paper_doi               10.1524/zkri.1938.99.1.336
_journal_volume                  99
_journal_year                    1938
_chemical_formula_structural     'Mn Se'
_chemical_formula_sum            'Mn Se'
_chemical_name_systematic        'Manganese selenide - $-beta'
_space_group_IT_number           216
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.82
_cell_length_b                   5.82
_cell_length_c                   5.82
_cell_volume                     197.1
_cod_database_code               1010117