LMucko/crystallography-open-database huggingface dataset:
X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 5 K Note: lattice parameters are average of 5 values
Barrett, C. S.; Acta Crystallographica 9 (1956) 671–677; doi:10.1107/S0365110X56001790

data_9011001
_publ_section_title
;
 X-ray study of the alkali metals at low temperatures
 Locality: synthetic
 Sample: at T = 5 K
 Note: lattice parameters are average of 5 values
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              671
_journal_page_last               677
_journal_paper_doi               10.1107/S0365110X56001790
_journal_volume                  9
_journal_year                    1956
_chemical_formula_sum            Na
_chemical_name_common            Sodium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.225
_cell_length_b                   4.225
_cell_length_c                   4.225
_cell_volume                     75.419
_diffrn_ambient_temperature      5
_cell_formula_units_Z            2
_exptl_crystal_density_diffrn    1.012
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011001
_database_code_amcsd 0009183
X-ray study of the alkali metals at low temperatures Sample: at T = 78 K Note: lattice parameters are average of 4 values
Barrett, C. S.; Acta Crystallographica 9 (1956) 671–677; doi:10.1107/S0365110X56001790

data_9011002
_publ_section_title
;
 X-ray study of the alkali metals at low temperatures
 Sample: at T = 78 K
 Note: lattice parameters are average of 4 values
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              671
_journal_page_last               677
_journal_paper_doi               10.1107/S0365110X56001790
_journal_volume                  9
_journal_year                    1956
_chemical_compound_source        Synthetic
_chemical_formula_sum            Na
_chemical_name_common            Sodium
_chemical_name_mineral           Sodium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.235
_cell_length_b                   4.235
_cell_length_c                   4.235
_cell_volume                     75.956
_cell_formula_units_Z            2
_database_code_amcsd             0009184
_diffrn_ambient_temperature      78
_exptl_crystal_density_diffrn    1.005
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011002
X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 78 K Note: lattice parameters are average of 4 values
Barrett, C. S.; Acta Crystallographica 9 (1956) 671–677; doi:10.1107/S0365110X56001790

data_9011003
_publ_section_title
;
 X-ray study of the alkali metals at low temperatures
 Locality: synthetic
 Sample: at T = 78 K
 Note: lattice parameters are average of 4 values
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              671
_journal_page_last               677
_journal_paper_doi               10.1107/S0365110X56001790
_journal_volume                  9
_journal_year                    1956
_chemical_formula_sum            Li
_chemical_name_common            Lithium
_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                   3.111
_cell_length_b                   3.111
_cell_length_c                   5.093
_cell_volume                     42.688
_diffrn_ambient_temperature      78
_cell_formula_units_Z            2
_exptl_crystal_density_diffrn    0.540
_cod_database_code               9011003
_database_code_amcsd 0009185
X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 78 K Note: lattice parameters are average of 6 values
Barrett, C. S.; Acta Crystallographica 9 (1956) 671–677; doi:10.1107/S0365110X56001790

data_9011004
_publ_section_title
;
 X-ray study of the alkali metals at low temperatures
 Locality: synthetic
 Sample: at T = 78 K
 Note: lattice parameters are average of 6 values
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              671
_journal_page_last               677
_journal_paper_doi               10.1107/S0365110X56001790
_journal_volume                  9
_journal_year                    1956
_chemical_formula_sum            Li
_chemical_name_common            Lithium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.491
_cell_length_b                   3.491
_cell_length_c                   3.491
_cell_volume                     42.545
_diffrn_ambient_temperature      78
_cell_formula_units_Z            2
_exptl_crystal_density_diffrn    0.542
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011004
_database_code_amcsd 0009186
X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 5 K Note: lattice parameters are average of 3 values
Barrett, C. S.; Acta Crystallographica 9 (1956) 671–677; doi:10.1107/S0365110X56001790

data_9011005
_publ_section_title
;
 X-ray study of the alkali metals at low temperatures
 Locality: synthetic
 Sample: at T = 5 K
 Note: lattice parameters are average of 3 values
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              671
_journal_page_last               677
_journal_paper_doi               10.1107/S0365110X56001790
_journal_volume                  9
_journal_year                    1956
_chemical_formula_sum            K
_chemical_name_common            Potassium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.225
_cell_length_b                   5.225
_cell_length_c                   5.225
_cell_volume                     142.646
_diffrn_ambient_temperature      5
_cell_formula_units_Z            2
_exptl_crystal_density_diffrn    0.910
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011005
_database_code_amcsd 0009187
X-ray study of the alkali metals at low temperatures Sample: at T = 66 K
Barrett, C. S.; Acta Crystallographica 9 (1956) 671–677; doi:10.1107/S0365110X56001790

data_9011006
_publ_section_title
;
 X-ray study of the alkali metals at low temperatures
 Sample: at T = 66 K
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              671
_journal_page_last               677
_journal_paper_doi               10.1107/S0365110X56001790
_journal_volume                  9
_journal_year                    1956
_chemical_compound_source        Synthetic
_chemical_formula_sum            K
_chemical_name_common            Potassium
_chemical_name_mineral           Potassium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.236
_cell_length_b                   5.236
_cell_length_c                   5.236
_cell_volume                     143.549
_database_code_amcsd             0009188
_cell_formula_units_Z            2
_diffrn_ambient_temperature      66
_exptl_crystal_density_diffrn    0.905
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011006
X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 78 K Note: lattice parameters are average of 3 values
Barrett, C. S.; Acta Crystallographica 9 (1956) 671–677; doi:10.1107/S0365110X56001790

data_9011007
_publ_section_title
;
 X-ray study of the alkali metals at low temperatures
 Locality: synthetic
 Sample: at T = 78 K
 Note: lattice parameters are average of 3 values
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              671
_journal_page_last               677
_journal_paper_doi               10.1107/S0365110X56001790
_journal_volume                  9
_journal_year                    1956
_chemical_formula_sum            K
_chemical_name_common            Potassium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.247
_cell_length_b                   5.247
_cell_length_c                   5.247
_cell_volume                     144.455
_diffrn_ambient_temperature      78
_cell_formula_units_Z            2
_exptl_crystal_density_diffrn    0.899
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011007
_database_code_amcsd 0009189
X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 5 K Note: lattice parameters are average of 3 values
Barrett, C. S.; Acta Crystallographica 9 (1956) 671–677; doi:10.1107/S0365110X56001790

data_9011008
_publ_section_title
;
 X-ray study of the alkali metals at low temperatures
 Locality: synthetic
 Sample: at T = 5 K
 Note: lattice parameters are average of 3 values
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              671
_journal_page_last               677
_journal_paper_doi               10.1107/S0365110X56001790
_journal_volume                  9
_journal_year                    1956
_chemical_formula_sum            Rb
_chemical_name_common            Rubidium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.585
_cell_length_b                   5.585
_cell_length_c                   5.585
_cell_volume                     174.209
_diffrn_ambient_temperature      5
_cell_formula_units_Z            2
_exptl_crystal_density_diffrn    1.629
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011008
_database_code_amcsd 0009190
X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 78 K Note: lattice parameters are average of 2 values
Barrett, C. S.; Acta Crystallographica 9 (1956) 671–677; doi:10.1107/S0365110X56001790

data_9011009
_publ_section_title
;
 X-ray study of the alkali metals at low temperatures
 Locality: synthetic
 Sample: at T = 78 K
 Note: lattice parameters are average of 2 values
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              671
_journal_page_last               677
_journal_paper_doi               10.1107/S0365110X56001790
_journal_volume                  9
_journal_year                    1956
_chemical_formula_sum            Rb
_chemical_name_common            Rubidium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.605
_cell_length_b                   5.605
_cell_length_c                   5.605
_cell_volume                     176.087
_diffrn_ambient_temperature      78
_cell_formula_units_Z            2
_exptl_crystal_density_diffrn    1.612
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011009
_database_code_amcsd 0009191
X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 5 K Note: lattice parameters are average of 4 values
Barrett, C. S.; Acta Crystallographica 9 (1956) 671–677; doi:10.1107/S0365110X56001790

data_9011010
_publ_section_title
;
 X-ray study of the alkali metals at low temperatures
 Locality: synthetic
 Sample: at T = 5 K
 Note: lattice parameters are average of 4 values
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              671
_journal_page_last               677
_journal_paper_doi               10.1107/S0365110X56001790
_journal_volume                  9
_journal_year                    1956
_chemical_formula_sum            Cs
_chemical_name_common            Cesium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.045
_cell_length_b                   6.045
_cell_length_c                   6.045
_cell_volume                     220.897
_diffrn_ambient_temperature      5
_cell_formula_units_Z            2
_exptl_crystal_density_diffrn    1.998
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011010
_database_code_amcsd 0009192
X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 78 K Note: lattice parameters are average of 6 values
Barrett, C. S.; Acta Crystallographica 9 (1956) 671–677; doi:10.1107/S0365110X56001790

data_9011011
_publ_section_title
;
 X-ray study of the alkali metals at low temperatures
 Locality: synthetic
 Sample: at T = 78 K
 Note: lattice parameters are average of 6 values
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              671
_journal_page_last               677
_journal_paper_doi               10.1107/S0365110X56001790
_journal_volume                  9
_journal_year                    1956
_chemical_formula_sum            Cs
_chemical_name_common            Cesium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.067
_cell_length_b                   6.067
_cell_length_c                   6.067
_cell_formula_units_Z            2
_cell_volume                     223.317
_diffrn_ambient_temperature      78
_exptl_crystal_density_diffrn    1.977
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011011
_database_code_amcsd 0009193
The structure of tetragonal copper ferrite Note: cell extrapolated from tetrahedra description
Prince, E.; Treuting, R. G.; Acta Crystallographica 9 (1956) 1025–1028; doi:10.1107/S0365110X56002977

data_9011012
_publ_section_title
;
 The structure of tetragonal copper ferrite
 Note: cell extrapolated from tetrahedra description
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              1025
_journal_page_last               1028
_journal_paper_doi               10.1107/S0365110X56002977
_journal_volume                  9
_journal_year                    1956
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu Fe2 O4'
_chemical_name_mineral           Cuprospinel
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.8
_cell_length_b                   5.8
_cell_length_c                   8.73
_cell_formula_units_Z            4
_cell_volume                     293.677
_database_code_amcsd             0009195
_exptl_crystal_density_diffrn    5.411
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_database_code               9011012
The crystal structure of pinnoite
Paton, F.; MacDonald, S. G. G.; Acta Crystallographica 10 (1957) 653–656; doi:10.1107/S0365110X57002273

data_9011013
_publ_section_title
;
 The crystal structure of pinnoite
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              653
_journal_page_last               656
_journal_paper_doi               10.1107/S0365110X57002273
_journal_volume                  10
_journal_year                    1957
_chemical_compound_source        'Stassfurt, Germany'
_chemical_formula_sum            'B2 H6 Mg O7'
_chemical_name_mineral           Pinnoite
_space_group_IT_number           86
_symmetry_space_group_name_Hall  'P 4n -1n'
_symmetry_space_group_name_H-M   'P 42/n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.62
_cell_length_b                   7.62
_cell_length_c                   8.19
_cell_volume                     475.547
_database_code_amcsd             0009203
_exptl_crystal_density_diffrn    2.290
_cod_original_sg_symbol_H-M      'P 42/n'
_cod_original_formula_sum        'Mg B2 O7 H6'
_cod_database_code               9011013
The crystal structures of three new vanadium oxide minerals Note: x(OH2) corrected
Evans, H. T.; Mrose, M. E.; Acta Crystallographica 11 (1958) 56–58; doi:10.1107/S0365110X58000141

data_9011014
_publ_section_title
;
 The crystal structures of three new vanadium oxide minerals
 Note: x(OH2) corrected
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              56
_journal_page_last               58
_journal_paper_doi               10.1107/S0365110X58000141
_journal_volume                  11
_journal_year                    1958
_chemical_compound_source        'Peanut mine, Montrose County, Colorado, USA'
_chemical_formula_sum            'H2 O3 V'
_chemical_name_mineral           Duttonite
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.67
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.80
_cell_length_b                   3.95
_cell_length_c                   5.96
_cell_volume                     207.155
_database_code_amcsd             0009204
_exptl_crystal_density_diffrn    3.237
_cod_original_formula_sum        'V O3 H2'
_cod_database_code               9011014
The crystal structures of three new vanadium oxide minerals
Evans, H. T.; Mrose, M. E.; Acta Crystallographica 11 (1958) 56–58; doi:10.1107/S0365110X58000141

data_9011015
_publ_section_title
;
 The crystal structures of three new vanadium oxide minerals
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              56
_journal_page_last               58
_journal_paper_doi               10.1107/S0365110X58000141
_journal_volume                  11
_journal_year                    1958
_chemical_compound_source        'Carlile, Wyoming, USA'
_chemical_formula_sum            'O5 V2'
_chemical_name_mineral           Haggite
_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                 98.25
_cell_angle_gamma                90
_cell_length_a                   12.17
_cell_length_b                   2.99
_cell_length_c                   4.83
_cell_formula_units_Z            2
_cell_volume                     173.937
_database_code_amcsd             0009205
_exptl_crystal_density_diffrn    3.473
_cod_original_formula_sum        'V2 O5'
_cod_database_code               9011015
The crystal structures of three new vanadium oxide minerals
Evans, H. T.; Mrose, M. E.; Acta Crystallographica 11 (1958) 56–58; doi:10.1107/S0365110X58000141

data_9011016
_publ_section_title
;
 The crystal structures of three new vanadium oxide minerals
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              56
_journal_page_last               58
_journal_paper_doi               10.1107/S0365110X58000141
_journal_volume                  11
_journal_year                    1958
_chemical_compound_source        'Carlile, Wyoming, USA'
_chemical_formula_sum            'O8 V3'
_chemical_name_mineral           Doloresite
_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                 103.92
_cell_angle_gamma                90
_cell_length_a                   19.64
_cell_length_b                   2.99
_cell_length_c                   4.83
_cell_formula_units_Z            2
_cell_volume                     275.305
_database_code_amcsd             0009206
_exptl_crystal_density_diffrn    3.388
_cod_original_formula_sum        'V3 O8'
_cod_database_code               9011016
The crystal structure of KHSO4 (mercallite)
Loopstra, L. H.; MacGillavry, V. H.; Acta Crystallographica 11 (1958) 349–354; doi:10.1107/S0365110X58000943

data_9011017
_publ_section_title
;
 The crystal structure of KHSO4 (mercallite)
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              349
_journal_page_last               354
_journal_paper_doi               10.1107/S0365110X58000943
_journal_volume                  11
_journal_year                    1958
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H K O4 S'
_chemical_name_mineral           Mercallite
_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_formula_units_Z            16
_cell_length_a                   8.40
_cell_length_b                   9.79
_cell_length_c                   18.930
_cell_volume                     1556.727
_database_code_amcsd             0009207
_exptl_crystal_density_diffrn    2.324
_cod_depositor_comments
;
       Insterting Z value to be consistent with given formula
                                  miguel
;
_cod_original_formula_sum        'K S (O4 H)'
_cod_database_code               9011017
Die kristallstruktur von Na2Zn(SO4)2*4H2O (Zn-blodit)
Giglio, M.; Acta Crystallographica 11 (1958) 789–794; doi:10.1107/S0365110X5800222X

data_9011018
_publ_section_title
;
 Die kristallstruktur von Na2Zn(SO4)2*4H2O (Zn-blodit)
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              789
_journal_page_last               794
_journal_paper_doi               10.1107/S0365110X5800222X
_journal_volume                  11
_journal_year                    1958
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H8 Na2 O12 S2 Zn'
_chemical_name_mineral           Changoite
_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                 100.58
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.05
_cell_length_b                   8.23
_cell_length_c                   5.54
_cell_volume                     495.251
_database_code_amcsd             0009212
_exptl_crystal_density_diffrn    2.518
_cod_original_formula_sum        'Zn Na2 S2 O12 H8'
_cod_database_code               9011018