LMucko/crystallography-open-database huggingface dataset:
The structure of vivianite and symplesite
Mori, H.; Ito, T.; Acta Crystallographica 3 (1950) 1–6; doi:10.1107/S0365110X5000001X

data_9010965
_publ_section_title
;
 The structure of vivianite and symplesite
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              1
_journal_page_last               6
_journal_paper_doi               10.1107/S0365110X5000001X
_journal_volume                  3
_journal_year                    1950
_chemical_compound_source        'Kiura, Japan'
_chemical_formula_sum            'As2 Fe3 H16 O16'
_chemical_name_mineral           Parasymplesite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.83
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.25
_cell_length_b                   13.48
_cell_length_c                   4.71
_cell_volume                     631.914
_database_code_amcsd             0009137
_exptl_crystal_density_diffrn    3.098
_cod_original_formula_sum        'Fe3 As2 O16 H16'
_cod_database_code               9010965
The structure of vivianite and symplesite
Mori, H.; Ito, T.; Acta Crystallographica 3 (1950) 1–6; doi:10.1107/S0365110X5000001X

data_9010966
_publ_section_title
;
 The structure of vivianite and symplesite
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              1
_journal_page_last               6
_journal_paper_doi               10.1107/S0365110X5000001X
_journal_volume                  3
_journal_year                    1950
_chemical_compound_source        'Ashio, Japan'
_chemical_formula_sum            'Fe3 H16 O16 P2'
_chemical_name_mineral           Vivianite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.50
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.08
_cell_length_b                   13.43
_cell_length_c                   4.70
_cell_volume                     615.993
_database_code_amcsd             0009138
_exptl_crystal_density_diffrn    2.704
_cod_original_formula_sum        'Fe3 P2 O16 H16'
_cod_database_code               9010966
Precision measurements of lattice parameters of non-cubic crystals Sample: at T < 450 C
Taylor, A.; Floyd, R. W.; Acta Crystallographica 3 (1950) 285–289; doi:10.1107/S0365110X50000732

data_9010967
_publ_section_title
;
 Precision measurements of lattice parameters of non-cubic crystals
 Sample: at T < 450 C
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              285
_journal_page_last               289
_journal_paper_doi               10.1107/S0365110X50000732
_journal_volume                  3
_journal_year                    1950
_chemical_compound_source        Synthetic
_chemical_formula_sum            Co
_chemical_name_common            Cobalt
_chemical_name_mineral           Cobalt
_space_group_IT_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_length_a                   2.5074
_cell_length_b                   2.5074
_cell_length_c                   4.0699
_cell_formula_units_Z            2
_cell_volume                     22.160
_database_code_amcsd             0009140
_exptl_crystal_density_diffrn    8.832
_cod_database_code               9010967
Precision measurements of lattice parameters of non-cubic crystals Sample: at T > 450 C
Taylor, A.; Floyd, R. W.; Acta Crystallographica 3 (1950) 285–289; doi:10.1107/S0365110X50000732

data_9010968
_publ_section_title
;
 Precision measurements of lattice parameters of non-cubic crystals
 Sample: at T > 450 C
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              285
_journal_page_last               289
_journal_paper_doi               10.1107/S0365110X50000732
_journal_volume                  3
_journal_year                    1950
_chemical_compound_source        Synthetic
_chemical_formula_sum            Co
_chemical_name_common            Cobalt
_chemical_name_mineral           Cobalt
_space_group_IT_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_length_a                   3.5442
_cell_length_b                   3.5442
_cell_length_c                   3.5442
_cell_formula_units_Z            4
_cell_volume                     44.520
_database_code_amcsd             0009141
_exptl_crystal_density_diffrn    8.793
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9010968
X-ray diffraction study of cerous phosphate and related crystals I. Hexagonal modification
Mooney, R. C. L.; Acta Crystallographica 3 (1950) 337–340; doi:10.1107/S0365110X50000963

data_9010969
_publ_section_title
;
 X-ray diffraction study of cerous phosphate and related crystals
 I. Hexagonal modification
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              337
_journal_page_last               340
_journal_paper_doi               10.1107/S0365110X50000963
_journal_volume                  3
_journal_year                    1950
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ce O4 P'
_chemical_name_mineral           Rhabdophane-(Ce)
_space_group_IT_number           180
_symmetry_space_group_name_Hall  'P 62 2 (0 0 4)'
_symmetry_space_group_name_H-M   'P 62 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.055
_cell_length_b                   7.055
_cell_length_c                   6.439
_cell_formula_units_Z            3
_cell_volume                     277.551
_database_code_amcsd             0009142
_exptl_crystal_density_diffrn    4.219
_cod_original_formula_sum        'Ce P O4'
_cod_database_code               9010969
The crystal structure of bandylite, CuCl2*CuB2O4*(H2O)4
Collin, R. L.; Acta Crystallographica 4 (1951) 204–209; doi:10.1107/S0365110X51000726

data_9010970
_publ_section_title
;
 The crystal structure of bandylite, CuCl2*CuB2O4*(H2O)4
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              204
_journal_page_last               209
_journal_paper_doi               10.1107/S0365110X51000726
_journal_volume                  4
_journal_year                    1951
_chemical_formula_sum            'B Cl Cu H4 O4'
_chemical_name_mineral           Bandylite
_space_group_IT_number           85
_symmetry_space_group_name_Hall  'P 4ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.19
_cell_length_b                   6.19
_cell_length_c                   5.61
_cell_volume                     214.953
_database_code_amcsd             0009143
_exptl_crystal_density_diffrn    2.748
_cod_duplicate_entry             9007427
_cod_original_sg_symbol_H-M      'P 4/n'
_cod_original_formula_sum        'Cu B (O4 Cl) H4'
_cod_database_code               9010970
The crystal structure of potassium bicarbonate, KHCO3
Nitta, I.; Tomiie, Y.; Koo, C. H.; Acta Crystallographica 5 (1952) 292–292; doi:10.1107/S0365110X52000848

data_9010971
_publ_section_title
;
 The crystal structure of potassium bicarbonate, KHCO3
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              292
_journal_page_last               292
_journal_paper_doi               10.1107/S0365110X52000848
_journal_volume                  5
_journal_year                    1952
_chemical_formula_sum            'C K O3'
_chemical_name_mineral           Kalicinite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.75
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.11
_cell_length_b                   5.67
_cell_length_c                   3.71
_cell_volume                     308.741
_database_code_amcsd             0009145
_exptl_crystal_density_diffrn    2.132
_cod_original_formula_sum        'K C O3'
_cod_database_code               9010971
The crystal structure of sulfur dioxide Sample: T = -130 C
Post, B.; Schwartz, R. S.; Fankuchen, I.; Acta Crystallographica 5 (1952) 372–374; doi:10.1107/S0365110X5200109X

data_9010972
_publ_section_title
;
 The crystal structure of sulfur dioxide
 Sample: T = -130 C
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              372
_journal_page_last               374
_journal_paper_doi               10.1107/S0365110X5200109X
_journal_volume                  5
_journal_year                    1952
_chemical_formula_structural     SO2
_chemical_formula_sum            'O2 S'
_space_group_IT_number           41
_space_group_name_Hall           'A 2 -2ab'
_space_group_name_H-M_alt        'A e a 2'
_symmetry_space_group_name_Hall  'A 2 -2ab'
_symmetry_space_group_name_H-M   'A e a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.07
_cell_length_b                   5.94
_cell_length_c                   6.14
_cell_formula_units_Z            4
_cell_volume                     221.383
_diffrn_ambient_temperature      143.15
_exptl_crystal_density_diffrn    1.922
_cod_original_sg_symbol_H-M      'A b a 2'
_cod_original_formula_sum        'S O2'
_cod_database_code               9010972
_database_code_amcsd 0009146
The structure of dicalcium silicate alpha-hydrate
Heller, L.; Acta Crystallographica 5 (1952) 724–728; doi:10.1107/S0365110X52002033

data_9010973
_publ_section_title
;
 The structure of dicalcium silicate alpha-hydrate
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              724
_journal_page_last               728
_journal_paper_doi               10.1107/S0365110X52002033
_journal_volume                  5
_journal_year                    1952
_chemical_compound_source        'synthetic Ca2SiO3OHOH'
_chemical_formula_sum            'Ca2 O5 Si'
_chemical_name_mineral           Poldervaartite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.34
_cell_length_b                   9.22
_cell_length_c                   10.61
_cell_formula_units_Z            8
_cell_volume                     913.678
_database_code_amcsd             0009148
_exptl_crystal_density_diffrn    2.737
_cod_original_formula_sum        'Ca2 Si O5'
_cod_database_code               9010973
The crystal structure of realgar locality: Saimoko, Japan
Ito, T.; Morimoto, N.; Sadanaga, R.; Acta Crystallographica 5 (1952) 775–782; doi:10.1107/S0365110X52002112

data_9010974
_publ_section_title
;
 The crystal structure of realgar
 locality: Saimoko, Japan
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              775
_journal_page_last               782
_journal_volume                  5
_journal_year                    1952
_chemical_formula_sum            'As S'
_chemical_name_mineral           Realgar
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.62
_cell_angle_gamma                90
_cell_length_a                   9.27
_cell_length_b                   13.50
_cell_length_c                   6.56
_cell_formula_units_Z            16
_cell_volume                     786.654
_exptl_crystal_density_diffrn    3.613
_cod_database_code               9010974
_journal_paper_doi 10.1107/S0365110X52002112
_database_code_amcsd 0009149
The crystal structure of Mg2(OH)3(Cl,Br)*4H2O
de Wolff, P. M.; Walter-Levy L; Acta Crystallographica 6 (1953) 40–44; doi:10.1107/S0365110X53000089

data_9010975
_publ_section_title
;
 The crystal structure of Mg2(OH)3(Cl,Br)*4H2O
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              40
_journal_page_last               44
_journal_paper_doi               10.1107/S0365110X53000089
_journal_volume                  6
_journal_year                    1953
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cl H11 Mg2 O7'
_chemical_name_mineral           Korshunovskite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.97
_cell_angle_beta                 104.0
_cell_angle_gamma                73.18
_cell_formula_units_Z            2
_cell_length_a                   8.65
_cell_length_b                   6.27
_cell_length_c                   7.43
_cell_volume                     370.154
_database_code_amcsd             0009151
_exptl_crystal_density_diffrn    1.859
_cod_original_formula_sum        'Mg2 (O7 Cl) H11'
_cod_database_code               9010975
The crystal structure of beta-selenium Note: structure known as beta phase Note: cell parameters taken from Acta Crystallographica 5 (1952) 236-246
Marsh, R. E.; Pauling, L.; McCullough, J. D.; Acta Crystallographica 6 (1953) 71–75; doi:10.1107/S0365110X53000168

data_9010976
_publ_section_title
;
 The crystal structure of beta-selenium
 Note: structure known as beta phase
 Note: cell parameters taken from Acta Crystallographica 5 (1952) 236-246
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              71
_journal_page_last               75
_journal_paper_doi               10.1107/S0365110X53000168
_journal_volume                  6
_journal_year                    1953
_chemical_compound_source        Synthetic
_chemical_formula_sum            Se8
_chemical_name_mineral           Selenium
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.13
_cell_angle_gamma                90
_cell_length_a                   12.85
_cell_length_b                   8.07
_cell_length_c                   9.31
_cell_formula_units_Z            4
_cell_volume                     964.002
_database_code_amcsd             0009152
_exptl_crystal_density_diffrn    4.352
_cod_database_code               9010976
Morphologie und struktur des reddingits, P2O5*3FeO*3H2O Note: z(FeII) adjusted to match symmetry constraint
Eversheim, P.; Kleber, W.; Acta Crystallographica 6 (1953) 215–216; doi:10.1107/S0365110X53000600

data_9010977
_publ_section_title
;
 Morphologie und struktur des reddingits, P2O5*3FeO*3H2O
 Note: z(FeII) adjusted to match symmetry constraint
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              215
_journal_page_last               216
_journal_paper_doi               10.1107/S0365110X53000600
_journal_volume                  6
_journal_year                    1953
_chemical_formula_sum            'Fe3 H6 O11 P2'
_chemical_name_mineral           Phosphoferrite
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2bc 2c'
_symmetry_space_group_name_H-M   'P c m b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.73
_cell_length_b                   10.152
_cell_length_c                   9.57
_cell_volume                     848.160
_database_code_amcsd             0009153
_exptl_crystal_density_diffrn    3.223
_cod_original_formula_sum        'Fe3 P2 O11 H6'
_cod_database_code               9010977
X-ray analysis of the ferroelectric transition in KH2PO4 Sample: at T = 126 K Locality: synthetic
Frazer, B. C.; Pepinsky, R.; Acta Crystallographica 6 (1953) 273–285; doi:10.1107/S0365110X53000776

data_9010978
_publ_section_title
;
 X-ray analysis of the ferroelectric transition in KH2PO4
 Sample: at T = 126 K
 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              273
_journal_page_last               285
_journal_paper_doi               10.1107/S0365110X53000776
_journal_volume                  6
_journal_year                    1953
_chemical_formula_sum            'H0.788 K O4 P'
_chemical_name_mineral           Archerite
_symmetry_space_group_name_H-M   'F -4 d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.48
_cell_length_b                   10.48
_cell_length_c                   6.90
_cell_volume                     757.830
_diffrn_ambient_temperature      126
_cod_data_source_file            08465.cif
_cod_data_source_block           global
_cod_original_formula_sum        'K P O4 H.788'
_cod_database_code               9010978
_cod_duplicate_entry 9007431
X-ray analysis of the ferroelectric transition in KH2PO4 Sample: at T = 116 K Locality: synthetic, low-temperature form
Frazer, B. C.; Pepinsky, R.; Acta Crystallographica 6 (1953) 273–285; doi:10.1107/S0365110X53000776

data_9010979
_publ_section_title
;
 X-ray analysis of the ferroelectric transition in KH2PO4
 Sample: at T = 116 K
 Locality: synthetic, low-temperature form
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              273
_journal_page_last               285
_journal_paper_doi               10.1107/S0365110X53000776
_journal_volume                  6
_journal_year                    1953
_chemical_formula_sum            'H2 K O4 P'
_chemical_name_mineral           Archerite
_symmetry_space_group_name_H-M   'F d d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.53
_cell_length_b                   10.44
_cell_length_c                   6.90
_cell_volume                     758.539
_diffrn_ambient_temperature      116
_exptl_crystal_density_diffrn    2.383
_cod_original_formula_sum        'K P (O4 H2)'
_cod_database_code               9010979
_cod_duplicate_entry 9007430
The crystal structure of paracelsian, BaAl2Si2O8
Smith, J. V.; Acta Crystallographica 6 (1953) 613–620; doi:10.1107/S0365110X53001721

data_9010980
_publ_section_title
;
 The crystal structure of paracelsian, BaAl2Si2O8
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              613
_journal_page_last               620
_journal_paper_doi               10.1107/S0365110X53001721
_journal_volume                  6
_journal_year                    1953
_chemical_compound_source
'Benallt Mine, near Rhiw, Carnarvonshire, U.K.'
_chemical_formula_sum            'Al2 Ba O8 Si2'
_chemical_name_mineral           Paracelsian
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.076
_cell_length_b                   9.583
_cell_length_c                   8.578
_cell_formula_units_Z            4
_cell_volume                     746.074
_database_code_amcsd             0009156
_exptl_crystal_density_diffrn    3.343
_cod_original_formula_sum        'Ba (Al2 Si2) O8'
_cod_database_code               9010980
On the relation among the results of various investigations on potassium bicarbonate, KHCO3
Nitta, I.; Tomiie, Y.; Koo, C. H.; Acta Crystallographica 7 (1954) 140–141; doi:10.1107/S0365110X54000400

data_9010981
_publ_section_title
;
 On the relation among the results of various
 investigations on potassium bicarbonate, KHCO3
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica'
_journal_page_first              140
_journal_page_last               141
_journal_paper_doi               10.1107/S0365110X54000400
_journal_volume                  7
_journal_year                    1954
_chemical_formula_sum            'C K O3'
_chemical_name_mineral           Kalicinite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.52
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.176
_cell_length_b                   5.630
_cell_length_c                   3.708
_cell_volume                     306.696
_database_code_amcsd             0009158
_exptl_crystal_density_diffrn    2.146
_cod_original_formula_sum        'K C O3'
_cod_database_code               9010981
The crystal structure of the asbestos-like form of sulphur trioxide
Westrik, R.; MacGillavry, C. H.; Acta Crystallographica 7 (1954) 764–767; doi:10.1107/S0365110X54002290

data_9010982
_publ_section_title
;
 The crystal structure of the asbestos-like form of sulphur trioxide
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              764
_journal_page_last               767
_journal_paper_doi               10.1107/S0365110X54002290
_journal_volume                  7
_journal_year                    1954
_chemical_formula_structural     SO3
_chemical_formula_sum            'O3 S'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.83
_cell_angle_gamma                90
_cell_length_a                   6.20
_cell_length_b                   4.06
_cell_length_c                   9.31
_cell_formula_units_Z            4
_cell_volume                     220.455
_database_code_amcsd             0009159
_exptl_crystal_density_diffrn    2.412
_cod_original_formula_sum        'S O3'
_cod_database_code               9010982
_amcsd_formula_title             SO3
Electron-diffraction study of the structure of basic lead carbonate, 2PbCO3*Pb(OH)2
Cowley, J. M.; Acta Crystallographica 9 (1956) 391–396; doi:10.1107/S0365110X56001133

data_9010983
_publ_section_title
;
 Electron-diffraction study of the structure of basic lead carbonate,
 2PbCO3*Pb(OH)2
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              391
_journal_page_last               396
_journal_paper_doi               10.1107/S0365110X56001133
_journal_volume                  9
_journal_year                    1956
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C2 H2 O8 Pb3'
_chemical_name_mineral           Hydrocerussite
_space_group_IT_number           157
_symmetry_space_group_name_Hall  'P 3 -2'
_symmetry_space_group_name_H-M   'P 3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.06
_cell_length_b                   9.06
_cell_length_c                   8.27
_cell_volume                     587.885
_database_code_amcsd             0009160
_exptl_crystal_density_diffrn    6.573
_cod_original_formula_sum        'Pb3 C2 O8 H2'
_cod_database_code               9010983