LMucko/crystallography-open-database huggingface dataset:
Neubestimmung der Gitterkonstanten von KF, CsCl und BaF2
Broch, E; Oftedal, I; Pabst, A; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 3 (1929) 209–214; doi:

data_1010978
_publ_section_title
;
Neubestimmung der Gitterkonstanten von KF, CsCl und BaF2
;
_journal_coden_ASTM              ZPCBAL
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der
Elementarprozesse, Aufbau der Materie
;
_journal_page_first              209
_journal_page_last               214
_journal_volume                  3
_journal_year                    1929
_chemical_compound_source        synthetic
_chemical_formula_structural     'K F'
_chemical_formula_sum            'F K'
_chemical_name_mineral           Carobbiite
_chemical_name_systematic        'Potassium fluoride'
_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                   5.3437(35)
_cell_length_b                   5.3437(35)
_cell_length_c                   5.3437(35)
_cell_volume                     152.6
_exptl_crystal_density_meas      2.51(0)
_cod_database_code               1010978
Die Kristallstruktur der Cadmium- und QuecksilberDiammin-Dihalogenide
MacGillavry, C H; Bijvoet, J M; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 94 (1936) 231–245; doi:

data_1010979
_publ_section_title
;
Die Kristallstruktur der Cadmium- und QuecksilberDiammin-Dihalogenide
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              231
_journal_page_last               245
_journal_volume                  94
_journal_year                    1936
_chemical_formula_structural     'Cu Cl2 (H2 O)2'
_chemical_formula_sum            'Cl2 Cu H4 O2'
_chemical_name_mineral           Eriochalcite
_chemical_name_systematic        'Copper dichloride dihydrate'
_space_group_IT_number           53
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      53
_symmetry_space_group_name_Hall  '-P 2ab 2ab'
_symmetry_space_group_name_H-M   'P b m n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.4
_cell_length_b                   8.06
_cell_length_c                   3.74
_cell_volume                     223.1
_cod_original_formula_sum        'H4 Cl2 Cu O2'
_cod_database_code               1010979
_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
;
Die Struktur des Libethenites Cu2 (O H) (P O4)
Heritsch, H; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 102 (1940) 1–12; doi:

data_1010980
_publ_section_title
;
Die Struktur des Libethenites Cu2 (O H) (P O4)
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              1
_journal_page_last               12
_journal_volume                  102
_journal_year                    1940
_chemical_compound_source        'from Libethen, Neusohl, Czechia'
_chemical_formula_structural     'Cu2 (P O4) (O H)'
_chemical_formula_sum            'Cu2 H O5 P'
_chemical_name_mineral           Libethenite
_chemical_name_systematic        'Copper phosphate(V) hydroxide'
_space_group_IT_number           58
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.43
_cell_length_b                   8.08
_cell_length_c                   5.9
_cell_volume                     401.9
_exptl_crystal_density_meas      3.97
_cod_original_formula_sum        'H Cu2 O5 P'
_cod_database_code               1010980
On the crystal structure of gypsum Ca S O4 (H2 O)2
Wooster, W A; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 94 (1936) 375–396; doi:

data_1010981
_publ_section_title
;
On the crystal structure of gypsum Ca S O4 (H2 O)2
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              375
_journal_page_last               396
_journal_volume                  94
_journal_year                    1936
_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           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 151.55
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.47
_cell_length_b                   15.15
_cell_length_c                   6.51
_cell_volume                     491.9
_exptl_crystal_density_meas      2.31
_cod_original_formula_sum        'H4 Ca O6 S'
_cod_database_code               1010981
The Crystal Structure of Cu3 As and Cu3 P
Steenberg, B; Arkiv foer Kemi, Mineralogi och Geologi, A 12 (1938) 1–15; doi:

data_1010982
_publ_section_title              'The Crystal Structure of Cu3 As and Cu3 P'
_journal_coden_ASTM              ARKGAJ
_journal_issue                   2
_journal_name_full               'Arkiv foer Kemi, Mineralogi och Geologi, A'
_journal_page_first              1
_journal_page_last               15
_journal_volume                  12
_journal_year                    1938
_chemical_compound_source        synthetic
_chemical_formula_structural     'Cu3 As'
_chemical_formula_sum            'As Cu3'
_chemical_name_mineral           'Domeykite high'
_chemical_name_systematic        'Copper(I) arsenide'
_space_group_IT_number           165
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   7.088
_cell_length_b                   7.088
_cell_length_c                   7.232
_cell_volume                     314.7
_exptl_crystal_density_meas      7.85
_cod_database_code               1010982
Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden
Oftedal, I; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 5 (1929) 272–292; doi:

data_1010983
_publ_section_title
;
Ueber die Kristallstruktur von Tysonit und einigen kuenstlich
dargestellten Lanthanidenfluoriden
;
_journal_coden_ASTM              ZPCBAL
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der
Elementarprozesse, Aufbau der Materie
;
_journal_page_first              272
_journal_page_last               292
_journal_volume                  5
_journal_year                    1929
_chemical_formula_structural     'La F3'
_chemical_formula_sum            'F3 La'
_chemical_name_mineral           'Fluocerite (La)'
_chemical_name_systematic        'Lanthanum fluoride'
_space_group_IT_number           182
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      182
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   7.176(4)
_cell_length_b                   7.176(4)
_cell_length_c                   7.344(7)
_cell_volume                     327.5
_cod_database_code               1010983
Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden
Oftedal, P; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 5 (1929) 272–292; doi:

data_1010984
_publ_section_title
;
Ueber die Kristallstruktur von Tysonit und einigen kuenstlich
dargestellten Lanthanidenfluoriden
;
_journal_coden_ASTM              ZPCBAL
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der
Elementarprozesse, Aufbau der Materie
;
_journal_page_first              272
_journal_page_last               292
_journal_volume                  5
_journal_year                    1929
_chemical_formula_structural     'Pr F3'
_chemical_formula_sum            'F3 Pr'
_chemical_name_mineral           'Fluocerite (Pr)'
_chemical_name_systematic        'Praseodymium fluoride'
_space_group_IT_number           182
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      182
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   7.076(5)
_cell_length_b                   7.076(5)
_cell_length_c                   7.233(7)
_cell_volume                     313.6
_cod_database_code               1010984
Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden
Oftedal, I; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 5 (1929) 272–292; doi:

data_1010985
_publ_section_title
;
Ueber die Kristallstruktur von Tysonit und einigen kuenstlich
dargestellten Lanthanidenfluoriden
;
_journal_coden_ASTM              ZPCBAL
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der
Elementarprozesse, Aufbau der Materie
;
_journal_page_first              272
_journal_page_last               292
_journal_volume                  5
_journal_year                    1929
_chemical_formula_structural     'Nd F3'
_chemical_formula_sum            'F3 Nd'
_chemical_name_mineral           'Fluocerite (Nd)'
_chemical_name_systematic        'Neodymium fluoride'
_space_group_IT_number           182
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      182
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   7.034(4)
_cell_length_b                   7.034(4)
_cell_length_c                   7.211(5)
_cell_volume                     309.0
_cod_database_code               1010985
Ueber die Kristallstruktur von Tysonit und einigen kuenstlich dargestellten Lanthanidenfluoriden
Oftedal, I; Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie 5 (1929) 272–292; doi:

data_1010986
_publ_section_title
;
Ueber die Kristallstruktur von Tysonit und einigen kuenstlich
dargestellten Lanthanidenfluoriden
;
_journal_coden_ASTM              ZPCBAL
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der
Elementarprozesse, Aufbau der Materie
;
_journal_page_first              272
_journal_page_last               292
_journal_volume                  5
_journal_year                    1929
_chemical_formula_structural     'Sm F3'
_chemical_formula_sum            'F3 Sm'
_chemical_name_mineral           'Fluocerite (Sm)'
_chemical_name_systematic        'Samarium fluoride'
_space_group_IT_number           182
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      182
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   6.99
_cell_length_b                   6.99
_cell_length_c                   7.16
_cell_volume                     303.0
_cod_database_code               1010986
The Structure of Cyanite
Naray-Szabo, S; Taylor, W H; Jackson, W W; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 71 (1929) 117–130; doi:

data_1010987
_publ_section_title              'The Structure of Cyanite'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              117
_journal_page_last               130
_journal_volume                  71
_journal_year                    1929
_chemical_formula_structural     'Al2 O (Si O4)'
_chemical_formula_sum            'Al2 O5 Si'
_chemical_name_mineral           Kyanite
_chemical_name_systematic        'Dialuminium oxide silicate'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.09
_cell_angle_beta                 101.03
_cell_angle_gamma                105.74
_cell_formula_units_Z            4
_cell_length_a                   7.09(2)
_cell_length_b                   7.72(4)
_cell_length_c                   5.56(2)
_cell_volume                     287.0
_exptl_crystal_density_meas      3.67
_cod_database_code               1010987
Crystal Structure of Diaspore
Takané, Katsutashi; Proceedings of the Imperial Academy (Tokyo) 9 (1933) 113–116; doi:10.2183/pjab1912.9.113

data_1010988
_publ_section_title
;
 Crystal Structure of Diaspore
;
_journal_coden_ASTM              PIATA8
_journal_issue                   3
_journal_name_full               'Proceedings of the Imperial Academy (Tokyo)'
_journal_page_first              113
_journal_page_last               116
_journal_paper_doi               10.2183/pjab1912.9.113
_journal_volume                  9
_journal_year                    1933
_chemical_compound_source        'from Shokozan, Japan'
_chemical_formula_structural     'Al O (O H)'
_chemical_formula_sum            'Al H O2'
_chemical_name_mineral           Diaspore
_chemical_name_systematic        'Aluminium oxide hydroxide'
_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                   4.43
_cell_length_b                   9.36
_cell_length_c                   2.8
_cell_volume                     116.1
_exptl_crystal_density_meas      3.43
_cod_original_formula_sum        'H Al O2'
_cod_database_code               1010988
Die Strukturen von MnO, MnS, AgF, NiS, SnJ4, SrCl2, BaF2; Präzisionsmessungen einiger Alkalihalogenide
Ott, H.; Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie 63 (1926) 222–230; doi:10.1524/zkri.1926.63.1.222

data_1010989
_publ_section_title
;
 Die Strukturen von MnO, MnS, AgF, NiS, SnJ4, SrCl2, BaF2;
 Pr\"azisionsmessungen einiger Alkalihalogenide
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
 Zeitschrift f\"ur Kristallographie, Kristallgeometrie, Kristallphysik,
 Kristallchemie
;
_journal_page_first              222
_journal_page_last               230
_journal_paper_doi               10.1524/zkri.1926.63.1.222
_journal_volume                  63
_journal_year                    1926
_chemical_compound_source        synthetic
_chemical_formula_structural     'Mn O'
_chemical_formula_sum            'Mn O'
_chemical_name_mineral           Manganosite
_chemical_name_systematic        'Manganese oxide'
_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                   4.48
_cell_length_b                   4.48
_cell_length_c                   4.48
_cell_volume                     89.9
_exptl_crystal_density_meas      5.18
_cod_depositor_comments
;
 Marked entry as being related to AMCSD entry 0017904.

 Antanas Vaitkus,
 2020-11-09

 Updated bibliographic information.

 Antanas Vaitkus,
 2020-11-09
;
_cod_database_code               1010989
Die Strukturen von MnO, MnS, AgF, NiS, SnJ4, SrCl2, BaF2; Präzisionsmessungen einiger Alkalihalogenide
Ott, H.; Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie 63 (1926) 222–230; doi:10.1524/zkri.1926.63.1.222

data_1010990
_publ_section_title
;
 Die Strukturen von MnO, MnS, AgF, NiS, SnJ4, SrCl2, BaF2;
 Pr\"azisionsmessungen einiger Alkalihalogenide
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
 Zeitschrift f\"ur Kristallographie, Kristallgeometrie, Kristallphysik,
 Kristallchemie
;
_journal_page_first              222
_journal_page_last               230
_journal_paper_doi               10.1524/zkri.1926.63.1.222
_journal_volume                  63
_journal_year                    1926
_chemical_formula_structural     'Li F'
_chemical_formula_sum            'F Li'
_chemical_name_mineral           Griceite
_chemical_name_systematic        'Lithium fluoride'
_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                   4.028(2)
_cell_length_b                   4.028(2)
_cell_length_c                   4.028(2)
_cell_volume                     65.4
_cod_depositor_comments
;
 Marked entry as being related to AMCSD entry 0017905.

 Antanas Vaitkus,
 2020-11-09

 Updated bibliographic information.

 Antanas Vaitkus,
 2020-11-09
;
_cod_database_code               1010990
The Crystal Structures of the Cuprous Halides
Wyckoff, R W G; Posnjak, E; Journal of the American Chemical Society 44 (1922) 30–36; doi:10.1021/ja01422a005

data_1010991
_publ_section_title
;
The Crystal Structures of the Cuprous Halides
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              30
_journal_page_last               36
_journal_paper_doi               10.1021/ja01422a005
_journal_volume                  44
_journal_year                    1922
_chemical_compound_source        'synthetic by reduction of CuCl2'
_chemical_formula_structural     'Cu Cl'
_chemical_formula_sum            'Cl Cu'
_chemical_name_mineral           Nantokite
_chemical_name_systematic        'Copper(I) chloride'
_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                   5.501
_cell_length_b                   5.501
_cell_length_c                   5.501
_cell_volume                     166.5
_exptl_crystal_density_meas      4.14
_cod_database_code               1010991
The Crystal Structure of Ammonium Fluosilicate
Bozorth, R M; Journal of the American Chemical Society 44 (1922) 1066–1070; doi:10.1021/ja01426a018

data_1010992
_publ_section_title
;
The Crystal Structure of Ammonium Fluosilicate
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1066
_journal_page_last               1070
_journal_paper_doi               10.1021/ja01426a018
_journal_volume                  44
_journal_year                    1922
_chemical_compound_source        synthetic
_chemical_formula_structural     '(N H4)2 (Si F6)'
_chemical_formula_sum            'F6 H8 N2 Si'
_chemical_name_mineral           Cryptohalite
_chemical_name_systematic        'Ammonium hexafluorosilicate'
_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                   8.38
_cell_length_b                   8.38
_cell_length_c                   8.38
_cell_volume                     588.5
_exptl_crystal_density_meas      2.01
_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 N2 Si'
_cod_database_code               1010992
The Crystal Structure of Molybdenite
Dickinson, R G; Pauling, L; Journal of the American Chemical Society 45 (1923) 1466–1471; doi:10.1021/ja01659a020

data_1010993
_publ_section_title              'The Crystal Structure of Molybdenite'
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1466
_journal_page_last               1471
_journal_paper_doi               10.1021/ja01659a020
_journal_volume                  45
_journal_year                    1923
_chemical_formula_structural     'Mo S2'
_chemical_formula_sum            'Mo S2'
_chemical_name_mineral           Molybdenite
_chemical_name_systematic        'Molybdenum disulfide'
_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            2
_cell_length_a                   3.15(2)
_cell_length_b                   3.15(2)
_cell_length_c                   12.30(7)
_cell_volume                     105.7
_exptl_crystal_density_meas      4.92
_cod_database_code               1010993