LMucko/crystallography-open-database huggingface dataset:
The crystal structures of the hexaammoniates of the nickel halides
Wyckoff, R W G; Journal of the American Chemical Society 44 (1922) 1239–1245; doi:10.1021/ja01427a007

data_1010856
_chemical_name_systematic          'Hexaamminenickel iodide'
_chemical_formula_structural       'Ni I2 (N H3)6'
_chemical_formula_sum              'H18 I2 N6 Ni'
_publ_section_title
;
The crystal structures of the hexaammoniates of the nickel halides
;
loop_
_publ_author_name                  'Wyckoff, R W G'
_journal_name_full                 'Journal of the American Chemical Society'
_journal_coden_ASTM                JACSAT
_journal_volume                    44
_journal_year                      1922
_journal_page_first                1239
_journal_page_last                 1245
_cell_length_a                     11.01
_cell_length_b                     11.01
_cell_length_c                     11.01
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       1334.6
_cell_formula_units_Z              4
_cod_database_code 1010856
_journal_paper_doi 10.1021/ja01427a007
Diffusion of Carbon Thru Tungsten and Tungsten Carbide
Andrews, M R; Dushman, S; Journal of Physical Chemistry 29 (1925) 462–472; doi:

data_1010857
_publ_section_title
;
Diffusion of Carbon Thru Tungsten and Tungsten Carbide
;
_journal_coden_ASTM              JPCHAX
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              462
_journal_page_last               472
_journal_volume                  29
_journal_year                    1925
_chemical_formula_structural     'W2 C'
_chemical_formula_sum            'C W2'
_chemical_name_systematic        'Tungsten carbide (2/1)'
_cod_original_formula_sum        'W2 C'
_cod_database_code               1010857
The System R~2~ O - B~2~ O~3~, II. Properties of Anhydrous and Hydrated Metaborates of Sodium and Potassium
Cole, S S; Scholes, S R; Amberg, C R; Journal of the American Ceramic Society 18 (1935) 58–61; doi:10.1111/j.1151-2916.1935.tb19353.x

data_1010858
_chemical_name_systematic          'Sodium catena-borate'
_chemical_formula_structural       'Na B O2'
_chemical_formula_sum              'B Na O2'
_publ_section_title
;
The System R~2~ O - B~2~ O~3~, II. Properties of Anhydrous and Hydrated
Metaborates of Sodium and Potassium
;
_journal_name_full                 'Journal of the American Ceramic Society'
_journal_coden_ASTM                JACTAW
_journal_volume                    18
_journal_year                      1935
_journal_page_first                58
_journal_page_last                 61
_cell_length_a                     6.85
_cell_length_b                     6.85
_cell_length_c                     10.95
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       445.0
_cell_formula_units_Z              16
_cod_database_code 1010858
_journal_paper_doi 10.1111/j.1151-2916.1935.tb19353.x
Mixed crystal formation of zinc sulfide postprecipitated with mercuric sulfide. The aging of mercuric sulfide and of zinc sulfide
Moltzau, R; Kolthoff, I M; Journal of Physical Chemistry 40 (1936) 637–643; doi:10.1021/j150374a009

data_1010859
_publ_section_title
;
Mixed crystal formation of zinc sulfide postprecipitated with mercuric
sulfide. The aging of mercuric sulfide and of zinc sulfide
;
_journal_coden_ASTM              JPCHAX
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              637
_journal_page_last               643
_journal_paper_doi               10.1021/j150374a009
_journal_volume                  40
_journal_year                    1936
_chemical_formula_structural     '(Hg S)0.61 (Zn S)0.39'
_chemical_formula_sum            'Hg0.61 S Zn0.39'
_chemical_name_systematic        'Mercury zinc sulfide (0.61/0.39/1)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            0
_cell_length_a                   5.79
_cell_length_b                   5.79
_cell_length_c                   5.79
_cell_volume                     194.1
_cod_original_formula_sum        'Hg.61 S Zn.39'
_cod_database_code               1010859
Sur quelques complexes bromocupriques.
Silberstein, M A; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) 205 (1937) 909–911; doi:

data_1010860
_publ_section_title              'Sur quelques complexes bromocupriques.'
_journal_coden_ASTM              COREAF
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences
(1884 - 1965)
;
_journal_page_first              909
_journal_page_last               911
_journal_volume                  205
_journal_year                    1937
_chemical_formula_structural     '(N H4)2 Cu Br4 (H2 O)2'
_chemical_formula_sum            'Br4 Cu H12 N2 O2'
_chemical_name_systematic        'Diammonium copper bromide 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            0
_cell_length_a                   8.14
_cell_length_b                   8.14
_cell_length_c                   8.14
_cell_volume                     539.4
_cod_original_formula_sum        'H12 Br4 Cu N2 O2'
_cod_database_code               1010860
De kristalstructuur van eenige ammoniakaten van het type M (N H~3~)~2~ Cl~2.~
Bijvoet, J M; MacGillavry, C H; Chemisch Weekblad 32 (1935) 346–347; doi:

data_1010861
_publ_section_title
;
De kristalstructuur van eenige ammoniakaten van het type M (N H~3~)~2~
Cl~2.~
;
_journal_coden_ASTM              CHWEAP
_journal_name_full               'Chemisch Weekblad'
_journal_page_first              346
_journal_page_last               347
_journal_volume                  32
_journal_year                    1935
_chemical_formula_structural     'Hg (N H3)2 Br2'
_chemical_formula_sum            'Br2 H6 Hg N2'
_chemical_name_systematic        'Diamminemercury bromide'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            0
_cell_length_a                   4.2
_cell_length_b                   4.2
_cell_length_c                   4.2
_cell_volume                     74.1
_cod_original_formula_sum        'H6 Br2 Hg N2'
_cod_database_code               1010861
Die Gitterkonstante und Schmelzpunkte der Berzeliite.
Bubeck, W; Geologiska Foereningens i Stockholm Foerhandlingar 56 (1934) 525–530; doi:

data_1010862
_publ_section_title
;
Die Gitterkonstante und Schmelzpunkte der Berzeliite.
;
_journal_coden_ASTM              GFSFA4
_journal_name_full
;
Geologiska Foereningens i Stockholm Foerhandlingar
;
_journal_page_first              525
_journal_page_last               530
_journal_volume                  56
_journal_year                    1934
_chemical_formula_structural     'Ca2 Na Mg1.27 Mn0.73 (As O4)3'
_chemical_formula_sum            'As3 Ca2 Mg1.27 Mn0.73 Na O12'
_chemical_name_systematic
;
Calcium sodium magnesium manganese arsenate (2/1/1.27/0.73/3)
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            0
_cell_length_a                   12.35(1)
_cell_length_b                   12.35(1)
_cell_length_c                   12.35(1)
_cell_volume                     1883.7
_cod_original_formula_sum        'As3 Ca2 Mg1.27 Mn.73 Na O12'
_cod_database_code               1010862
Bravoite from Mill Close mine, Derbyshire.
Bannister, F A; Hey, M H; Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968) 25 (1940) 609–615; doi:10.1180/minmag.1940.025.170.05

data_1010863
_publ_section_title              'Bravoite from Mill Close mine, Derbyshire.'
_journal_coden_ASTM              MIASA6
_journal_name_full
;
Mineralogical Magazine and Journal of the Mineralogical Society (1876-
1968)
;
_journal_page_first              609
_journal_page_last               615
_journal_paper_doi               10.1180/minmag.1940.025.170.05
_journal_volume                  25
_journal_year                    1940
_chemical_compound_source        'from Mill Close Mine, Derbyshire'
_chemical_formula_structural     'Fe0.65 Ni0.35 S2'
_chemical_formula_sum            'Fe0.65 Ni0.35 S2'
_chemical_name_mineral           Bravoite
_chemical_name_systematic        'Iron nickel sulfide (0.65/0.35/2)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            0
_cell_length_a                   5.49
_cell_length_b                   5.49
_cell_length_c                   5.49
_cell_volume                     165.5
_cod_original_formula_sum        'Fe.65 Ni.35 S2'
_cod_database_code               1010863
The identity of Zinckenite and Keeleyite.
Vaux, G; Bannister, F A; Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968) 25 (1938) 221–227; doi:10.1180/minmag.1938.025.163.06

data_1010864
_publ_section_title              'The identity of Zinckenite and Keeleyite.'
_journal_coden_ASTM              MIASA6
_journal_name_full
;
Mineralogical Magazine and Journal of the Mineralogical Society (1876-
1968)
;
_journal_page_first              221
_journal_page_last               227
_journal_volume                  25
_journal_year                    1938
_chemical_compound_source        'from the British Museum'
_chemical_formula_structural     'Pb6 Sb14 S27'
_chemical_formula_sum            'Pb6 S27 Sb14'
_chemical_name_mineral           Zinckenite
_chemical_name_systematic        'Hexalead 14-antimony 27-sulfide'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            12
_cell_length_a                   44.06
_cell_length_b                   76.31
_cell_length_c                   8.6
_cell_volume                     25041.2
_cod_database_code               1010864
_journal_paper_doi 10.1180/minmag.1938.025.163.06
X-ray studies on Pyrolusite (including Polianite) and Psilomelane.
Vaux, G; Bennett, H; Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968) 24 (1937) 521–526; doi:10.1180/minmag.1937.024.157.02

data_1010865
_publ_section_title
;
X-ray studies on Pyrolusite (including Polianite) and Psilomelane.
;
_journal_coden_ASTM              MIASA6
_journal_name_full
;
Mineralogical Magazine and Journal of the Mineralogical Society (1876-
1968)
;
_journal_page_first              521
_journal_page_last               526
_journal_volume                  24
_journal_year                    1937
_chemical_compound_source        'from Elgersburg, Thuringia'
_chemical_formula_structural     'H4 Mn2 Mn8 O20'
_chemical_formula_sum            'H4 Mn10 O20'
_chemical_name_mineral           Pyrolusite
_chemical_name_systematic
;
Tetrahydrogen dimanganese octamanganese(IV) oxide
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            0
_cell_length_a                   4.38
_cell_length_b                   4.38
_cell_length_c                   2.86
_cell_volume                     54.9
_cod_database_code               1010865
_journal_paper_doi 10.1180/minmag.1937.024.157.02
Lusakite, a cobalt-bearing silicate from Northern Rhodesia.
Skerl, A C; Bannister, F A; Groves, A W; Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968) 23 (1934) 598–606; doi:10.1180/minmag.1934.023.146.03

data_1010866
_publ_section_title
;
Lusakite, a cobalt-bearing silicate from Northern Rhodesia.
;
_journal_coden_ASTM              MIASA6
_journal_name_full
;
Mineralogical Magazine and Journal of the Mineralogical Society (1876-
1968)
;
_journal_page_first              598
_journal_page_last               606
_journal_paper_doi               10.1180/minmag.1934.023.146.03
_journal_volume                  23
_journal_year                    1934
_chemical_compound_source        'from Northern Rhodesia.'
_chemical_formula_structural
'Al17.01 Co1.93 Fe0.81 Fe1.06 H2.26 Mn0.02 Mg1.09 Ni0.20 Ti0.11 Si7.75 O47.3'
_chemical_formula_sum
'Al17.01 Co1.93 Fe1.87 H2.26 Mg1.09 Mn0.02 Ni0.2 O47.3 Si7.75 Ti0.11'
_chemical_name_mineral           'Staurolite cobaltiferous'
_chemical_name_systematic
;
Aluminium cobalt iron hydrogen manganese magnesium nickel titanium
silicate *
;
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.86
_cell_length_b                   16.62
_cell_length_c                   5.65
_cell_volume                     738.1
_cod_original_formula_sum
'H2.26 Al17.01 Co1.93 Fe1.87 Mg1.09 Mn.02 Ni.2 O47.3 Si7.75 Ti.11'
_cod_database_code               1010866
Studies on the Zeolites. Part IX. Scolecite and Metascolecite.
Hey, M H; Bannister, F A; Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968) 24 (1936) 227–253; doi:10.1180/minmag.1936.024.152.02

data_1010867
_publ_section_title
;
Studies on the Zeolites. Part IX. Scolecite and Metascolecite.
;
_journal_coden_ASTM              MIASA6
_journal_name_full
;
Mineralogical Magazine and Journal of the Mineralogical Society (1876-
1968)
;
_journal_page_first              227
_journal_page_last               253
_journal_paper_doi               10.1180/minmag.1936.024.152.02
_journal_volume                  24
_journal_year                    1936
_chemical_formula_structural     'Ca Al2 Si3 O10 (H2 O)3'
_chemical_formula_sum            'Al2 Ca H6 O13 Si3'
_chemical_name_mineral           Scolecite
_chemical_name_systematic        'Calcium alumosilicate hydrate *'
_cell_angle_alpha                90
_cell_angle_beta                 89.35
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.48
_cell_length_b                   18.95
_cell_length_c                   6.54
_cell_volume                     2290.1
_cod_original_formula_sum        'H6 Al2 Ca O13 Si3'
_cod_database_code               1010867
Studies on the Zeolites. Part V. Mesolite.
Hey, M H; Bannister, F A; Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968) 23 (1933) 421–447; doi:10.1180/minmag.1933.023.143.01

data_1010868
_publ_section_title              'Studies on the Zeolites. Part V. Mesolite.'
_journal_coden_ASTM              MIASA6
_journal_name_full
;
Mineralogical Magazine and Journal of the Mineralogical Society (1876-
1968)
;
_journal_page_first              421
_journal_page_last               447
_journal_paper_doi               10.1180/minmag.1933.023.143.01
_journal_volume                  23
_journal_year                    1933
_chemical_formula_structural     'Ca2 Na2 Al6 Si9 O30 (H2 O)8'
_chemical_formula_sum            'Al6 Ca2 H16 Na2 O38 Si9'
_chemical_name_mineral           Mesolite
_chemical_name_systematic        'Calcium sodium alumosilicate hydrate * e'
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.0(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   56.7(1)
_cell_length_b                   6.54(2)
_cell_length_c                   18.44(4)
_cell_volume                     6837.9
_cod_original_formula_sum        'H16 Al6 Ca2 Na2 O38 Si9'
_cod_database_code               1010868
The Crystal Structure of Cesium Enneachlordithalliate, Cs~3~ Tl~2~ Cl~9~
Hoard, J L; Goldstein, L; Journal of Chemical Physics 3 (1935) 199–202; doi:10.1063/1.1749633

data_1010869
_publ_section_title
;
The Crystal Structure of Cesium Enneachlordithalliate, Cs~3~ Tl~2~ Cl~9~
;
_journal_coden_ASTM              JCPSA6
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              199
_journal_page_last               202
_journal_paper_doi               10.1063/1.1749633
_journal_volume                  3
_journal_year                    1935
_chemical_formula_structural     'Cs3 Tl2 Cl9'
_chemical_formula_sum            'Cl9 Cs3 Tl2'
_chemical_name_systematic        'Caesium nonachlorodithallate'
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      167
_symmetry_space_group_name_H-M   'R -3 c RS'
_cell_angle_alpha                83.8
_cell_angle_beta                 83.8
_cell_angle_gamma                83.8
_cell_formula_units_Z            2
_cell_length_a                   9.58
_cell_length_b                   9.58
_cell_length_c                   9.58
_cell_volume                     864.8
_cod_database_code               1010869
Die Kristallstruktur des Ammoniumhexabromoselenats
Sieg, L; Zeitschrift fuer Anorganische und Allgemeine Chemie 207 (1932) 93–96; doi:10.1002/zaac.19322070109

data_1010870
_publ_section_title
;
Die Kristallstruktur des Ammoniumhexabromoselenats
;
_journal_coden_ASTM              ZAACAB
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              93
_journal_page_last               96
_journal_paper_doi               10.1002/zaac.19322070109
_journal_volume                  207
_journal_year                    1932
_chemical_formula_structural     '(N H4)2 Se Br6'
_chemical_formula_sum            'Br6 H8 N2 Se'
_chemical_name_systematic        'Ammonium hexabromoselenate(IV)'
_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                   10.46
_cell_length_b                   10.46
_cell_length_c                   10.46
_cell_volume                     1144.4
_exptl_crystal_density_meas      3.47
_cod_depositor_comments
;
 Changing the number of attached hydrogens for atom 'N1' from 3 to 4.
 Removing the dummy hydrogen atom 'H1+'.

 Antanas Vaitkus,
 2017-07-11
;
_cod_original_formula_sum        'H8 Br6 N2 Se'
_cod_database_code               1010870
Ueber das Woehlersche Cyanstickstofftitan
Goldschmidt, V M; Nachrichten der Akademie der Wissenschaften, Goettingen, Mathematisch- Physikalisch-Chemische Abteilung 1927 (1927) 390–393; doi:

data_1010871
_publ_section_title              'Ueber das Woehlersche Cyanstickstofftitan'
_journal_coden_ASTM              NACGA3
_journal_name_full
;
Nachrichten der Akademie der Wissenschaften, Goettingen, Mathematisch-
Physikalisch-Chemische Abteilung
;
_journal_page_first              390
_journal_page_last               393
_journal_volume                  1927
_journal_year                    1927
_chemical_formula_structural     'Ti C.2 N.8'
_chemical_formula_sum            'C0.2 N0.8 Ti'
_chemical_name_systematic        'Titanium carbide nitride (1/.2/.8)'
_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                   4.243
_cell_length_b                   4.243
_cell_length_c                   4.243
_cell_volume                     76.4
_exptl_crystal_density_meas      5.32
_cod_depositor_comments
;
 Correcting the summary chemical formula by changing it from 'N0.8 Ti'
 to 'C0.2 N0.8 Ti'.

 Antanas Vaitkus,
 2018-07-07
;
_cod_original_formula_sum        'N.8 Ti'
_cod_database_code               1010871
Ueber einige Doppelcarbonate der Alkalien und Erdalkalien
Eitel, W; Skaliks, W; Zeitschrift fuer Anorganische und Allgemeine Chemie 183 (1929) 263–286; doi:10.1002/zaac.19291830119

data_1010872
_publ_section_title
;
Ueber einige Doppelcarbonate der Alkalien und Erdalkalien
;
_journal_coden_ASTM              ZAACAB
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              263
_journal_page_last               286
_journal_paper_doi               10.1002/zaac.19291830119
_journal_volume                  183
_journal_year                    1929
_chemical_formula_structural     'Na Li (C O3)'
_chemical_formula_sum            'C Li Na O3'
_chemical_name_systematic        'Sodium lithium carbonate'
_space_group_IT_number           187
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      187
_symmetry_space_group_name_Hall  'P -6 2'
_symmetry_space_group_name_H-M   'P -6 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.22
_cell_length_b                   8.22
_cell_length_c                   3.27
_cell_volume                     191.3
_cod_depositor_comments
;
 Correcting the summary chemical formula by changing it from 'Li Na O3'
 to 'C Li Na O3'.

 Antanas Vaitkus,
 2018-07-07
;
_cod_database_code               1010872
The Structure and Formula of 12-Phosphotungstic Acid
Keggin, J F; Proceedings of the Royal Society of London, Series A: Mathematical and Physical Sciences (76,1906-) 144 (1934) 75–100; doi:10.1098/rspa.1934.0035

data_1010873
_publ_section_title
;
The Structure and Formula of 12-Phosphotungstic Acid
;
_journal_coden_ASTM              PRLAAZ
_journal_name_full
;
Proceedings of the Royal Society of London, Series A: Mathematical and
Physical Sciences (76,1906-)
;
_journal_page_first              75
_journal_page_last               100
_journal_paper_doi               10.1098/rspa.1934.0035
_journal_volume                  144
_journal_year                    1934
_chemical_formula_structural     'H3 P W12 O40'
_chemical_formula_sum            'H3 O40 P W12'
_chemical_name_systematic        'Trihydrogen dodecatungstophosphate'
_space_group_IT_number           224
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  'P 4n 2 3 -1n'
_symmetry_space_group_name_H-M   'P n -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.141(5)
_cell_length_b                   12.141(5)
_cell_length_c                   12.141(5)
_cell_volume                     1789.6
_cod_original_sg_symbol_H-M      'P n -3 m S'
_cod_database_code               1010873