LMucko/crystallography-open-database huggingface dataset:
The Crystal Structures of Potassium Chloroplatinate and of Potassium and Ammonium Chloropalladates
Dickinson, R G; Journal of the American Chemical Society 44 (1922) 2404–2411; doi:10.1021/ja01432a007

data_1010084
_publ_section_title
;
The Crystal Structures of Potassium Chloroplatinate and of Potassium
and Ammonium Chloropalladates
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2404
_journal_page_last               2411
_journal_paper_doi               10.1021/ja01432a007
_journal_volume                  44
_journal_year                    1922
_chemical_formula_structural     '(N H4)2 PD CL4'
_chemical_formula_sum            'Cl4 H8 N2 Pd'
_chemical_name_systematic        'Ammonium tetrachloropalladate'
_space_group_IT_number           123
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   7.21
_cell_length_b                   7.21
_cell_length_c                   4.26
_cell_volume                     221.5
_exptl_crystal_density_meas      2.17
_cod_original_formula_sum        'H8 Cl4 N2 Pd'
_cod_database_code               1010084
_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
;
The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and Oxyfluomolybdate
Pauling, L; Journal of the American Chemical Society 46 (1924) 2738–2751; doi:10.1021/ja01677a019

data_1010085
_publ_section_title
;
The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and
Oxyfluomolybdate
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2738
_journal_page_last               2751
_journal_paper_doi               10.1021/ja01677a019
_journal_volume                  46
_journal_year                    1924
_chemical_formula_structural     '(N H4)3 Fe F6'
_chemical_formula_sum            'F6 Fe H12 N3'
_chemical_name_systematic        'Ammonium hexafluoroferrate(III)'
_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                   9.1
_cell_length_b                   9.1
_cell_length_c                   9.1
_cell_volume                     753.6
_exptl_crystal_density_meas      1.91
_cod_original_formula_sum        'H12 F6 Fe N3'
_cod_database_code               1010085
The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and Oxyfluomolybdate
Pauling, L; Journal of the American Chemical Society 46 (1924) 2738–2751; doi:10.1021/ja01677a019

data_1010086
_publ_section_title
;
The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and
Oxyfluomolybdate
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2738
_journal_page_last               2751
_journal_paper_doi               10.1021/ja01677a019
_journal_volume                  46
_journal_year                    1924
_chemical_formula_structural     '(N H4)3 Al F6'
_chemical_formula_sum            'Al F6 H12 N3'
_chemical_name_systematic        'Ammonium hexafluoroaluminate'
_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                   8.4
_cell_length_b                   8.4
_cell_length_c                   8.4
_cell_volume                     592.7
_exptl_crystal_density_meas      2.02
_cod_original_formula_sum        'H12 Al F6 N3'
_cod_database_code               1010086
The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and Oxyfluomolybdate
Pauling, L; Journal of the American Chemical Society 46 (1924) 2738–2751; doi:10.1021/ja01677a019

data_1010087
_publ_section_title
;
The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and
Oxyfluomolybdate
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2738
_journal_page_last               2751
_journal_paper_doi               10.1021/ja01677a019
_journal_volume                  46
_journal_year                    1924
_chemical_formula_structural     '(N H4)3 (Mo O3 F3)'
_chemical_formula_sum            'F3 H12 Mo N3 O3'
_chemical_name_systematic        'AMMONIUM TRIOXOTRIFLUOROMOLYBDATE'
_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                   9.1
_cell_length_b                   9.1
_cell_length_c                   9.1
_cell_volume                     753.6
_exptl_crystal_density_meas      2.28
_cod_original_formula_sum        'H12 F3 Mo N3 O3'
_cod_database_code               1010087
The Crystal Structures of Sodium and Potassium Trinitrides and Potassium Cyanate and the Nature of the Trinitride Group
Hendricks, S B; Pauling, L; Journal of the American Chemical Society 47 (1925) 2904–2920; doi:10.1021/ja01689a008

data_1010088
_publ_section_title
;
The Crystal Structures of Sodium and Potassium Trinitrides and
Potassium Cyanate and the Nature of the Trinitride Group
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2904
_journal_page_last               2920
_journal_paper_doi               10.1021/ja01689a008
_journal_volume                  47
_journal_year                    1925
_chemical_formula_structural     'NA N3'
_chemical_formula_sum            'N3 Na'
_chemical_name_systematic        'Sodium azide'
_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                38.72
_cell_angle_beta                 38.72
_cell_angle_gamma                38.72
_cell_formula_units_Z            1
_cell_length_a                   5.481
_cell_length_b                   5.481
_cell_length_c                   5.481
_cell_volume                     57.9
_exptl_crystal_density_meas      1.85
_cod_original_sg_symbol_H-M      'R -3 m R'
_cod_database_code               1010088
The Crystal Structures of Sodium and Potassium Trinitrides and Potassium Cyanate and the Nature of the Trinitride Group
Hendricks, S B; Pauling, L; Journal of the American Chemical Society 47 (1925) 2904–2920; doi:10.1021/ja01689a008

data_1010089
_publ_section_title
;
The Crystal Structures of Sodium and Potassium Trinitrides and
Potassium Cyanate and the Nature of the Trinitride Group
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2904
_journal_page_last               2920
_journal_paper_doi               10.1021/ja01689a008
_journal_volume                  47
_journal_year                    1925
_chemical_formula_structural     'K N3'
_chemical_formula_sum            'K N3'
_chemical_name_systematic        'Potassium azide'
_space_group_IT_number           140
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.094
_cell_length_b                   6.094
_cell_length_c                   7.056
_cell_volume                     262.0
_exptl_crystal_density_meas      2.04
_cod_database_code               1010089
The Crystal Structures of Sodium and Potassium Trinitrides and Potassium Cyanate and the Nature of the Trinitride Group
Hendricks, S B; Pauling, L; Journal of the American Chemical Society 47 (1925) 2904–2920; doi:10.1021/ja01689a008

data_1010090
_publ_section_title
;
The Crystal Structures of Sodium and Potassium Trinitrides and
Potassium Cyanate and the Nature of the Trinitride Group
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2904
_journal_page_last               2920
_journal_paper_doi               10.1021/ja01689a008
_journal_volume                  47
_journal_year                    1925
_chemical_formula_structural     'K O C N'
_chemical_formula_sum            'C K N O'
_chemical_name_systematic        'Potassium cyanate'
_space_group_IT_number           140
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.07
_cell_length_b                   6.07
_cell_length_c                   7.03
_cell_volume                     259.0
_exptl_crystal_density_meas      2.06
_cod_original_formula_sum        'K N O'
_cod_database_code               1010090
The Atomic Arrangement in the Crystal of Orthorhombic Iodine
Harris, P M; Mack, E; Blake, F C; Journal of the American Chemical Society 50 (1928) 1583–1600; doi:10.1021/ja01393a009

data_1010091
_publ_section_title
;
The Atomic Arrangement in the Crystal of Orthorhombic Iodine
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1583
_journal_page_last               1600
_journal_paper_doi               10.1021/ja01393a009
_journal_volume                  50
_journal_year                    1928
_chemical_formula_structural     I2
_chemical_formula_sum            I2
_chemical_name_systematic        Diiodine
_space_group_IT_number           64
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.255
_cell_length_b                   4.795
_cell_length_c                   9.78
_cell_volume                     340.2
_cod_database_code               1010091
Molecular Rotation in the Solid State. The Variation of the Crystal Structure of Ammonium Nitrate with Temperature
Hendricks, S B; Posnjak, E; Kracek, F C; Journal of the American Chemical Society 54 (1932) 2766–2786; doi:10.1021/ja01346a020

data_1010092
_publ_section_title
;
Molecular Rotation in the Solid State. The Variation of the Crystal
Structure of Ammonium Nitrate with Temperature
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2766
_journal_page_last               2786
_journal_paper_doi               10.1021/ja01346a020
_journal_volume                  54
_journal_year                    1932
_chemical_formula_structural     'N H4 N O3'
_chemical_formula_sum            'H4 N2 O3'
_chemical_name_systematic        'Ammonium nitrate - II'
_space_group_IT_number           81
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      81
_symmetry_space_group_name_Hall  'P -4'
_symmetry_space_group_name_H-M   'P -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.74
_cell_length_b                   5.74
_cell_length_c                   5.
_cell_volume                     164.7
_exptl_crystal_density_meas      1.64
_cod_database_code               1010092
X-Ray Studies of the System Nickel-Oxygen-Water. I. Nickelous Oxide and Hydroxide
Cairns, R W; Ott, E; Journal of the American Chemical Society 55 (1933) 527–533; doi:10.1021/ja01329a013

data_1010093
_publ_section_title
;
X-Ray Studies of the System Nickel-Oxygen-Water. I. Nickelous Oxide and
Hydroxide
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              527
_journal_page_last               533
_journal_paper_doi               10.1021/ja01329a013
_journal_volume                  55
_journal_year                    1933
_chemical_formula_structural     'NI O'
_chemical_formula_sum            'Ni O'
_chemical_name_systematic        'Nickel 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                   4.1684(10)
_cell_length_b                   4.1684(10)
_cell_length_c                   4.1684(10)
_cell_volume                     72.4
_cod_database_code               1010093
The Crystal Structures of Rubidium and Ammonium Fluoborates
Hoard, J L; Blair, V; Journal of the American Chemical Society 57 (1935) 1985–1988; doi:10.1021/ja01313a067

data_1010094
_publ_section_title
;
The Crystal Structures of Rubidium and Ammonium Fluoborates
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1985
_journal_page_last               1988
_journal_paper_doi               10.1021/ja01313a067
_journal_volume                  57
_journal_year                    1935
_chemical_formula_structural     'Rb B F4'
_chemical_formula_sum            'B F4 Rb'
_chemical_name_systematic        'Rubidium tetrafluoroborate'
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_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                   9.07
_cell_length_b                   5.6
_cell_length_c                   7.23
_cell_volume                     367.2
_cod_database_code               1010094
The Structure of Thin Films of Metallic Oxides and Hydrates
Smith, N; Journal of the American Chemical Society 58 (1936) 173–179; doi:10.1021/ja01292a050

data_1010095
_publ_section_title
;
The Structure of Thin Films of Metallic Oxides and Hydrates
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              173
_journal_page_last               179
_journal_paper_doi               10.1021/ja01292a050
_journal_volume                  58
_journal_year                    1936
_chemical_formula_structural     'Ni O'
_chemical_formula_sum            'Ni O'
_chemical_name_systematic        'NICKEL 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                   4.18(1)
_cell_length_b                   4.18(1)
_cell_length_c                   4.18(1)
_cell_volume                     73.0
_cod_database_code               1010095
The Structure of Crystalline Bromine
Vonnegut, B; Warren, B E; Journal of the American Chemical Society 58 (1936) 2459–2461; doi:10.1021/ja01303a030

data_1010096
_publ_section_title              'The Structure of Crystalline Bromine'
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2459
_journal_page_last               2461
_journal_paper_doi               10.1021/ja01303a030
_journal_volume                  58
_journal_year                    1936
_chemical_formula_structural     Br
_chemical_formula_sum            Br
_chemical_name_systematic        Bromine
_space_group_IT_number           64
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.67
_cell_length_b                   4.48
_cell_length_c                   8.72
_cell_volume                     651.2
_cod_database_code               1010096
The Crystal Structure of Manganese Diselenide and Manganese Ditelluride
Elliott, N; Journal of the American Chemical Society 59 (1937) 1958–1962; doi:10.1021/ja01289a049

data_1010097
_publ_section_title
;
The Crystal Structure of Manganese Diselenide and Manganese Ditelluride
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1958
_journal_page_last               1962
_journal_paper_doi               10.1021/ja01289a049
_journal_volume                  59
_journal_year                    1937
_chemical_formula_structural     'Mn Se2'
_chemical_formula_sum            'Mn Se2'
_chemical_name_systematic        'MANGANESE(IV) SELENIDE'
_space_group_IT_number           205
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.417(5)
_cell_length_b                   6.417(5)
_cell_length_c                   6.417(5)
_cell_volume                     264.2
_cod_database_code               1010097
The Crystal Structure of Ammonium Trihydrogen Paraperiodate, (N H~4~)~2~ H~3~ I O~6~
Helmholz, L.; Journal of the American Chemical Society 59 (1937) 2036–2039; doi:10.1021/ja01289a073

data_1010098
_publ_section_title
;
 The Crystal Structure of Ammonium Trihydrogen Paraperiodate,
 (N H~4~)~2~ H~3~ I O~6~
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2036
_journal_page_last               2039
_journal_paper_doi               10.1021/ja01289a073
_journal_volume                  59
_journal_year                    1937
_chemical_formula_structural     '(N H4)2 H3 I O6'
_chemical_formula_sum            'H11 I N2 O6'
_chemical_name_systematic        'AMMONIUM TRIHYDROGENHEXAOXOIODATE(VII)'
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_H-M   'R -3 HR'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.88(1)
_cell_length_b                   6.88(1)
_cell_length_c                   11.10(5)
_cell_volume                     455.0
_exptl_crystal_density_meas      3(50)
_cod_database_code               1010098
The Structure of Ammonium Heptafluozirconate and Potassium Heptafluozirconate and the Configuration of the Heptafluozirconate Group
Hampson, G C; Pauling, L; Journal of the American Chemical Society 60 (1938) 2702–2707; doi:10.1021/ja01278a046

data_1010099
_publ_section_title
;
The Structure of Ammonium Heptafluozirconate and Potassium
Heptafluozirconate and the Configuration of the Heptafluozirconate
Group
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2702
_journal_page_last               2707
_journal_paper_doi               10.1021/ja01278a046
_journal_volume                  60
_journal_year                    1938
_chemical_formula_structural     '(N H4)3 Zr F7'
_chemical_formula_sum            'F7 H12 N3 Zr'
_chemical_name_systematic        'Ammonium heptafluorozirconate'
_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                   9.365(10)
_cell_length_b                   9.365(10)
_cell_length_c                   9.365(10)
_cell_volume                     821.3
_exptl_crystal_density_meas      2.2
_cod_original_formula_sum        'H12 F7 N3 Zr'
_cod_database_code               1010099
The Structure of Ammonium Heptafluozirconate and Potassium Heptafluozirconate and the Configuration of the Heptafluozirconate Group
Hampson, G C; Pauling, L; Journal of the American Chemical Society 60 (1938) 2702–2707; doi:10.1021/ja01278a046

data_1010100
_publ_section_title
;
The Structure of Ammonium Heptafluozirconate and Potassium
Heptafluozirconate and the Configuration of the Heptafluozirconate
Group
;
_journal_coden_ASTM              JACSAT
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2702
_journal_page_last               2707
_journal_paper_doi               10.1021/ja01278a046
_journal_volume                  60
_journal_year                    1938
_chemical_formula_structural     'K3 ZR F7'
_chemical_formula_sum            'F7 K3 Zr'
_chemical_name_systematic        'Potassium heptafluorozirconate'
_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                   8.951(10)
_cell_length_b                   8.951(10)
_cell_length_c                   8.951(10)
_cell_volume                     717.2
_cod_database_code               1010100