LMucko/crystallography-open-database huggingface dataset:
Precission measurements of the lattice constants of 12 common metals
Davey, W P; Physical Review (1,1893-132,1963/141,1966-188,1969) 25 (1925) 753–761; doi:

data_1011112
_publ_section_title
;
Precission measurements of the lattice constants of 12 common metals
;
_journal_coden_ASTM              PHRVAO
_journal_name_full
;
Physical Review (1,1893-132,1963/141,1966-188,1969)
;
_journal_page_first              753
_journal_page_last               761
_journal_volume                  25
_journal_year                    1925
_chemical_compound_source        'synthetic (from Heraeus)'
_chemical_formula_structural     Pd
_chemical_formula_sum            Pd
_chemical_name_common            Palladium
_chemical_name_mineral           Palladium
_chemical_name_systematic        Palladium
_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                   3.867(3)
_cell_length_b                   3.867(3)
_cell_length_c                   3.867(3)
_cell_volume                     57.8
_exptl_crystal_density_meas      11.7(20)
_cod_database_code               1011112
Precission measurements of the lattices of 12 simple metals
Davey, W P; Physical Review (1,1893-132,1963/141,1966-188,1969) 25 (1925) 753–761; doi:

data_1011113
_publ_section_title
;
Precission measurements of the lattices of 12 simple metals
;
_journal_coden_ASTM              PHRVAO
_journal_name_full
;
Physical Review (1,1893-132,1963/141,1966-188,1969)
;
_journal_page_first              753
_journal_page_last               761
_journal_volume                  25
_journal_year                    1925
_chemical_compound_source        synthetic
_chemical_formula_structural     Pt
_chemical_formula_sum            Pt
_chemical_name_common            Platinum
_chemical_name_mineral           Platinum
_chemical_name_systematic        Platinum
_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                   3.920(4)
_cell_length_b                   3.920(4)
_cell_length_c                   3.920(4)
_cell_volume                     60.2
_cod_database_code               1011113
Beugung der Roentgenstrahlen in mikrokrystallinen Strukturen
Uspenski, N; Konobejewski, S; Zeitschrift fuer Physik 16 (1923) 215–227; doi:10.1007/BF01327394

data_1011114
_publ_section_title
;
Beugung der Roentgenstrahlen in mikrokrystallinen Strukturen
;
_journal_coden_ASTM              ZEPYAA
_journal_name_full               'Zeitschrift fuer Physik'
_journal_page_first              215
_journal_page_last               227
_journal_paper_doi               10.1007/BF01327394
_journal_volume                  16
_journal_year                    1923
_chemical_compound_source        'synthetic, sheet'
_chemical_formula_structural     Pt
_chemical_formula_sum            Pt
_chemical_name_common            Platinum
_chemical_name_mineral           Platinum
_chemical_name_systematic        Platinum
_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                   3.878
_cell_length_b                   3.878
_cell_length_c                   3.878
_cell_volume                     58.3
_cod_database_code               1011114
Electron distribution in (N H4)2 (C2 O4) . (H2 O) and the structure of the oxalate group
Hendriks, S B; Jefferson, M E; Journal of Chemical Physics 4 (1936) 102–107; doi:10.1063/1.1749795

data_1011115
_publ_section_title
;
Electron distribution in (N H4)2 (C2 O4) . (H2 O) and the structure of
the oxalate group
;
_journal_coden_ASTM              JCPSA6
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              102
_journal_page_last               107
_journal_paper_doi               10.1063/1.1749795
_journal_volume                  4
_journal_year                    1936
_chemical_compound_source        synthetic
_chemical_formula_structural     '(N H4)2 (C O2)2 (H2 O)'
_chemical_formula_sum            'C2 H10 N2 O5'
_chemical_name_mineral           Oxammite
_chemical_name_systematic        'Ammonium oxalate monohydrate'
_space_group_IT_number           18
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.04
_cell_length_b                   10.27
_cell_length_c                   3.82
_cell_volume                     315.4
_exptl_crystal_density_meas      1.5
_refine_ls_R_factor_all          0.08
_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

 Correcting the _chemical_formula_sum data item value by changing it from
 'H10 N2 O5' to 'C2 H10 N2 O5'.

 Antanas Vaitkus,
 2017-09-11
;
_cod_database_code               1011115
Crystal Structure
Broch, E.; Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main) 127 (1927) 446–454; doi:

data_1011116
_publ_section_title              'Crystal Structure'
_journal_coden_ASTM              ZPCFAX
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie (Frankfurt Am Main)
;
_journal_page_first              446
_journal_page_last               454
_journal_volume                  127
_journal_year                    1927
_chemical_formula_structural     'Mg O'
_chemical_formula_sum            'Mg O'
_chemical_name_mineral           Periclase
_chemical_name_systematic        'Magnesium 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                   4.216(1)
_cell_length_b                   4.216(1)
_cell_length_c                   4.216(1)
_cell_volume                     74.9
_exptl_crystal_density_meas      3.56
_cod_database_code               1011116
Die Kristallstruktur von Silberphosphat und Silberarsenat, Ag3 X O4
Wyckoff, R W G; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 62 (1925) 529–539; doi:

data_1011117
_publ_section_title
;
Die Kristallstruktur von Silberphosphat und Silberarsenat, Ag3 X O4
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              529
_journal_page_last               539
_journal_volume                  62
_journal_year                    1925
_chemical_formula_structural     'Mg O'
_chemical_formula_sum            'Mg O'
_chemical_name_mineral           Periclase
_chemical_name_systematic        'Magnesium 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                   4.211
_cell_length_b                   4.211
_cell_length_c                   4.211
_cell_volume                     74.7
_exptl_crystal_density_meas      3.56
_cod_database_code               1011117
Crystal Structure
Schiebold, E; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 56 (1927) 430–430; doi:

data_1011118
_publ_section_title              'Crystal Structure'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              430
_journal_page_last               430
_journal_volume                  56
_journal_year                    1927
_chemical_formula_structural     'Mg O'
_chemical_formula_sum            'Mg O'
_chemical_name_mineral           Periclase
_chemical_name_systematic        'Magnesium 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                   4.2
_cell_length_b                   4.2
_cell_length_c                   4.2
_cell_volume                     74.1
_exptl_crystal_density_meas      3.56
_cod_database_code               1011118
Precission measurements of the lattices of 12 simple metals
Davey, W P; Physical Review (1,1893-132,1963/141,1966-188,1969) 25 (1925) 753–761; doi:

data_1011119
_publ_section_title
;
Precission measurements of the lattices of 12 simple metals
;
_journal_coden_ASTM              PHRVAO
_journal_name_full
;
Physical Review (1,1893-132,1963/141,1966-188,1969)
;
_journal_page_first              753
_journal_page_last               761
_journal_volume                  25
_journal_year                    1925
_chemical_formula_structural     Pb
_chemical_formula_sum            Pb
_chemical_name_common            Lead
_chemical_name_mineral           Lead
_chemical_name_systematic        Lead
_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                   4.930(5)
_cell_length_b                   4.930(5)
_cell_length_c                   4.930(5)
_cell_volume                     119.8
_exptl_crystal_density_meas      11.37
_cod_database_code               1011119
Ein vergleich zwischen Bi2Te3 und Bi2Te2S
Lange, P. W.; Naturwissenschaften 27 (1939) 133–134; doi:

data_1011120
_publ_section_title
;
 Ein vergleich zwischen Bi2Te3 und Bi2Te2S
;
_journal_name_full               Naturwissenschaften
_journal_page_first              133
_journal_page_last               134
_journal_volume                  27
_journal_year                    1939
_chemical_compound_source        synthetic
_chemical_formula_structural     'Bi2 Te3'
_chemical_formula_sum            'Bi2 Te3'
_chemical_name_mineral           Tellurobismuthite
_chemical_name_systematic        'Bismuth telluride'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                24.13
_cell_angle_beta                 24.13
_cell_angle_gamma                24.13
_cell_formula_units_Z            1
_cell_length_a                   10.45
_cell_length_b                   10.45
_cell_length_c                   10.45
_cell_volume                     167.6
_database_code_amcsd             0014688
_exptl_crystal_density_diffrn    7.933
_exptl_crystal_density_meas      7.82
_cod_original_sg_symbol_H-M      'R -3 m R'
_cod_database_code               1011120
Die Struktur des Olivenites Cu~2~OHAsO~4~
Heritsch, H.; Zeitschrift für Kristallographie - Crystalline Materials 99 (1938) 466–479; doi:10.1524/zkri.1938.99.1.466

data_1011121
_publ_section_title
;
 Die Struktur des Olivenites Cu~2~OHAsO~4~
;
_journal_coden_ASTM              ZEKGAX
_journal_issue                   1-6
_journal_name_full
;
 Zeitschrift f\"ur Kristallographie - Crystalline Materials
;
_journal_page_first              466
_journal_page_last               479
_journal_paper_doi               10.1524/zkri.1938.99.1.466
_journal_volume                  99
_journal_year                    1938
_chemical_compound_source        'from Cornwall, England'
_chemical_formula_structural     'Cu2 (As O4) (O H)'
_chemical_formula_sum            'As Cu2 H O5'
_chemical_name_mineral           Olivenite
_chemical_name_systematic        'Copper arsenate(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                   8.62
_cell_length_b                   8.2
_cell_length_c                   5.94
_cell_volume                     419.9
_database_code_amcsd             0018015
_exptl_crystal_density_diffrn    4.461
_exptl_crystal_density_meas      4.4
_cod_original_formula_sum        'H As Cu2 O5'
_cod_database_code               1011121
Die Struktur des Pollucits CsAlSi~2~O~6~*xH~2~O
Náray-Szabó, St. v.; Zeitschrift für Kristallographie - Crystalline Materials 99 (1938) 277–282; doi:10.1524/zkri.1938.99.1.277

data_1011122
_publ_section_title
;
 Die Struktur des Pollucits CsAlSi~2~O~6~*xH~2~O
;
_journal_coden_ASTM              ZEKGAX
_journal_issue                   1-6
_journal_name_full
;
 Zeitschrift f\"ur Kristallographie - Crystalline Materials
;
_journal_page_first              277
_journal_page_last               282
_journal_paper_doi               10.1524/zkri.1938.99.1.277
_journal_volume                  99
_journal_year                    1938
_chemical_compound_source        'from Elba, Italy'
_chemical_formula_analytical
;
Cs11.7 K.4 Na3.1 Li.25 Al15 Si33 O96.2 (H2 O)4
;
_chemical_formula_structural     'Cs (Al Si2 O6)'
_chemical_formula_sum            'Al Cs O6 Si2'
_chemical_name_mineral           Pollucite
_chemical_name_systematic        'Caesium tecto-alumodisilicate'
_space_group_IT_number           230
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   13.74
_cell_length_b                   13.74
_cell_length_c                   13.74
_cell_volume                     2593.9
_exptl_crystal_density_meas      2.95
_cod_database_code               1011122
Die Struktur des Pollucits CsAlSi~2~O~6~*xH~2~O
Náray-Szabó, St. v.; Zeitschrift für Kristallographie - Crystalline Materials 99 (1938) 277–282; doi:10.1524/zkri.1938.99.1.277

data_1011123
_publ_section_title
;
 Die Struktur des Pollucits CsAlSi~2~O~6~*xH~2~O
;
_journal_coden_ASTM              ZEKGAX
_journal_issue                   1-6
_journal_name_full
;
 Zeitschrift f\"ur Kristallographie - Crystalline Materials
;
_journal_page_first              277
_journal_page_last               282
_journal_paper_doi               10.1524/zkri.1938.99.1.277
_journal_volume                  99
_journal_year                    1938
_chemical_compound_source        'from Elba, Italy'
_chemical_formula_structural     'Cs (Al Si2 O6)'
_chemical_formula_sum            'Al Cs O6 Si2'
_chemical_name_mineral           Pollucite
_chemical_name_systematic        'Caesium tecto-alumodisilicate'
_space_group_IT_number           142
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 4bw 2aw -1bw'
_symmetry_space_group_name_H-M   'I 41/a c d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   13.74
_cell_length_b                   13.74
_cell_length_c                   13.74
_cell_volume                     2593.9
_exptl_crystal_density_meas      2.95
_cod_original_sg_symbol_H-M      'I 41/a c d S'
_cod_database_code               1011123
The crystal structure of potassium acid dihydronium pentaborate KH~2~(H~3~O)~2~B~5~O~10~, (potassium pentaborate tetrahydrate)
Zachariasen, W. H.; Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie 98 (1938) 266–274; doi:10.1524/zkri.1938.98.1.266

data_1011124
_publ_section_title
;
 The crystal structure of potassium acid dihydronium pentaborate
 KH~2~(H~3~O)~2~B~5~O~10~, (potassium pentaborate tetrahydrate)
;
_journal_coden_ASTM              ZKKKAJ
_journal_issue                   1-6
_journal_name_full
;
 Zeitschrift f\"ur Kristallographie, Kristallgeometrie, Kristallphysik,
 Kristallchemie
;
_journal_page_first              266
_journal_page_last               274
_journal_paper_doi               10.1524/zkri.1938.98.1.266
_journal_volume                  98
_journal_year                    1938
_chemical_compound_source        synthetic
_chemical_formula_structural     'K (B5 O8) (H2 O)4'
_chemical_formula_sum            'B5 H8 K O12'
_chemical_name_mineral           Santite
_chemical_name_systematic        'Potassium pentaborate tetrahydrate'
_space_group_IT_number           41
_space_group_name_Hall           'A 2 -2ab'
_space_group_name_H-M_alt        'A e a 2'
_symmetry_cell_setting           orthorhombic
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.08(5)
_cell_length_b                   11.14(6)
_cell_length_c                   8.97(4)
_cell_volume                     1107.2
_exptl_crystal_density_diffrn    1.711
_exptl_crystal_density_meas      1.74
_cod_original_formula_sum        'H8 B5 K O12'
_cod_database_code               1011124
Zur Kristallstruktur des Valleriits
Hiller, J E; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 101 (1939) 425–434; doi:

data_1011125
_publ_section_title              'Zur Kristallstruktur des Valleriits'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              425
_journal_page_last               434
_journal_volume                  101
_journal_year                    1939
_chemical_compound_source        'from Aurora mine, Kaveltorp, Sweden'
_chemical_formula_structural     'Cu2 (Fe4 S7)'
_chemical_formula_sum            'Cu2 Fe4 S7'
_chemical_name_mineral           Valleriite
_chemical_name_systematic        'Copper(I) heptathiotetraferrate(III)'
_space_group_IT_number           51
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      51
_symmetry_space_group_name_Hall  '-P 2a 2a'
_symmetry_space_group_name_H-M   'P m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.13
_cell_length_b                   9.81
_cell_length_c                   11.4
_cell_volume                     685.5
_exptl_crystal_density_meas      3.09
_cod_database_code               1011125
Die Kristallstruktur des Vanadinpentoxyds
Ketelaar, J A A; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 95 (1936) 9–27; doi:

data_1011126
_publ_section_title              'Die Kristallstruktur des Vanadinpentoxyds'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              9
_journal_page_last               27
_journal_volume                  95
_journal_year                    1936
_chemical_compound_source        'synthetic from melt'
_chemical_formula_structural     'V2 O5'
_chemical_formula_sum            'O5 V2'
_chemical_name_mineral           Shcherbianite
_chemical_name_systematic        'Vanadium oxide'
_space_group_IT_number           31
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      31
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.48(1)
_cell_length_b                   4.360(5)
_cell_length_c                   3.550(5)
_cell_volume                     177.7
_exptl_crystal_density_meas      3.32
_cod_database_code               1011126
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_1011127
_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     'K Cl'
_chemical_formula_sum            'Cl K'
_chemical_name_mineral           Sylvine
_chemical_name_systematic        'Potassium chloride'
_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                   6.277(2)
_cell_length_b                   6.277(2)
_cell_length_c                   6.277(2)
_cell_volume                     247.3
_exptl_crystal_density_meas      1.99
_cod_depositor_comments
;
 Marked entry as being related to AMCSD entry 0018021.

 Antanas Vaitkus,
 2020-11-09

 Updated bibliographic information.

 Antanas Vaitkus,
 2020-11-09
;
_cod_database_code               1011127