LMucko/crystallography-open-database huggingface dataset:
On the crystal chemistry of salt hydrates. VII. The crystal structures of pseudo trisodium orthoarsenate dodecahydrate and the isomorphous phosphate and vanadate salts
Tillmanns, E.; Baur, W. H.; Acta Crystallographica, Section B 27 (1971) 2124–2132; doi:10.1107/S0567740871005454

data_9007529
_publ_section_title
;On the crystal chemistry of salt hydrates. VII. The crystal structures of
 pseudo trisodium orthoarsenate dodecahydrate and the isomorphous phosphate
 and vanadate salts
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2124
_journal_page_last               2132
_journal_paper_doi               10.1107/S0567740871005454
_journal_volume                  27
_journal_year                    1971
_chemical_formula_structural     Na3AsO4(NaOH).13*12H2O
_chemical_formula_sum            'As2 H15.404 Na6.26 O32.26'
_space_group_IT_number           165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   12.017
_cell_length_b                   12.017
_cell_length_c                   12.783
_cell_volume                     1598.658
_database_code_amcsd             0009402
_exptl_crystal_density_diffrn    1.715
_cod_original_formula_sum        'Na6.26 As2 O32.26 H15.404'
_cod_database_code               9007529
_amcsd_formula_title             Na3AsO4(NaOH).13*12H2O
Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures
Baur, W. H.; Khan, A. A.; Acta Crystallographica, Section B 27 (1971) 2133–2139; doi:10.1107/S0567740871005466

data_9007530
_publ_section_title
;
 Rutile-type compounds. IV.
 SiO2, GeO2 and a comparison with other rutile-type structures
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2133
_journal_page_last               2139
_journal_paper_doi               10.1107/S0567740871005466
_journal_volume                  27
_journal_year                    1971
_chemical_compound_source        'Meteor Crater, Arizona, USA'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Stishovite
_space_group_IT_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_length_a                   4.1790
_cell_length_b                   4.1790
_cell_length_c                   2.6649
_cell_formula_units_Z            2
_cell_volume                     46.540
_database_code_amcsd             0009403
_exptl_crystal_density_diffrn    4.288
_cod_original_formula_sum        'Si O2'
_cod_database_code               9007530
Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures
Baur, W. H.; Khan, A. A.; Acta Crystallographica, Section B 27 (1971) 2133–2139; doi:10.1107/S0567740871005466

data_9007531
_publ_section_title
;
 Rutile-type compounds. IV.
 SiO2, GeO2 and a comparison with other rutile-type structures
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2133
_journal_page_last               2139
_journal_paper_doi               10.1107/S0567740871005466
_journal_volume                  27
_journal_year                    1971
_chemical_formula_sum            'O2 Ti'
_chemical_name_mineral           Rutile
_space_group_IT_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_length_a                   4.5941
_cell_length_b                   4.5941
_cell_length_c                   2.9589
_cell_formula_units_Z            2
_cell_volume                     62.450
_database_code_amcsd             0009404
_exptl_crystal_density_diffrn    4.248
_cod_original_formula_sum        'Ti O2'
_cod_database_code               9007531
Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures
Baur, W. H.; Khan, A. A.; Acta Crystallographica, Section B 27 (1971) 2133–2139; doi:10.1107/S0567740871005466

data_9007532
_publ_section_title
;
 Rutile-type compounds. IV.
 SiO2, GeO2 and a comparison with other rutile-type structures
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2133
_journal_page_last               2139
_journal_paper_doi               10.1107/S0567740871005466
_journal_volume                  27
_journal_year                    1971
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ge O2'
_chemical_name_mineral           Argutite
_space_group_IT_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_length_a                   4.3975
_cell_length_b                   4.3975
_cell_length_c                   2.8625
_cell_formula_units_Z            2
_cell_volume                     55.355
_database_code_amcsd             0009405
_exptl_crystal_density_diffrn    6.276
_cod_database_code               9007532
Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures
Baur, W. H.; Khan, A. A.; Acta Crystallographica, Section B 27 (1971) 2133–2139; doi:10.1107/S0567740871005466

data_9007533
_publ_section_title
;
 Rutile-type compounds. IV.
 SiO2, GeO2 and a comparison with other rutile-type structures
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2133
_journal_page_last               2139
_journal_paper_doi               10.1107/S0567740871005466
_journal_volume                  27
_journal_year                    1971
_chemical_formula_sum            'O2 Sn'
_chemical_name_mineral           Cassiterite
_space_group_IT_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            2
_cell_length_a                   4.7380
_cell_length_b                   4.7380
_cell_length_c                   3.1865
_cell_volume                     71.533
_database_code_amcsd             0009406
_exptl_crystal_density_diffrn    6.997
_cod_original_formula_sum        'Sn O2'
_cod_database_code               9007533
Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures
Baur, W. H.; Khan, A. A.; Acta Crystallographica, Section B 27 (1971) 2133–2139; doi:10.1107/S0567740871005466

data_9007534
_publ_section_title
;
 Rutile-type compounds. IV.
 SiO2, GeO2 and a comparison with other rutile-type structures
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2133
_journal_page_last               2139
_journal_paper_doi               10.1107/S0567740871005466
_journal_volume                  27
_journal_year                    1971
_chemical_formula_sum            'F2 Mg'
_chemical_name_mineral           Sellaite
_space_group_IT_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_length_a                   4.6213
_cell_length_b                   4.6213
_cell_length_c                   3.0159
_cell_formula_units_Z            2
_cell_volume                     64.409
_database_code_amcsd             0009407
_exptl_crystal_density_diffrn    3.212
_cod_original_formula_sum        'Mg F2'
_cod_database_code               9007534
Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures
Baur, W. H.; Khan, A. A.; Acta Crystallographica, Section B 27 (1971) 2133–2139; doi:10.1107/S0567740871005466

data_9007535
_publ_section_title
;
 Rutile-type compounds. IV.
 SiO2, GeO2 and a comparison with other rutile-type structures
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2133
_journal_page_last               2139
_journal_paper_doi               10.1107/S0567740871005466
_journal_volume                  27
_journal_year                    1971
_chemical_formula_structural     MnF2
_chemical_formula_sum            'F2 Mn'
_space_group_IT_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_length_a                   4.8738
_cell_length_b                   4.8738
_cell_length_c                   3.3107
_cell_formula_units_Z            2
_cell_volume                     78.642
_database_code_amcsd             0009408
_exptl_crystal_density_diffrn    3.925
_cod_original_formula_sum        'Mn F2'
_cod_database_code               9007535
_amcsd_formula_title             MnF2
Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures
Baur, W. H.; Khan, A. A.; Acta Crystallographica, Section B 27 (1971) 2133–2139; doi:10.1107/S0567740871005466

data_9007536
_publ_section_title
;
 Rutile-type compounds. IV.
 SiO2, GeO2 and a comparison with other rutile-type structures
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2133
_journal_page_last               2139
_journal_paper_doi               10.1107/S0567740871005466
_journal_volume                  27
_journal_year                    1971
_chemical_formula_structural     FeF2
_chemical_formula_sum            'F2 Fe'
_space_group_IT_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_length_a                   4.6945
_cell_length_b                   4.6945
_cell_length_c                   3.3097
_cell_formula_units_Z            2
_cell_volume                     72.940
_database_code_amcsd             0009409
_exptl_crystal_density_diffrn    4.273
_cod_original_formula_sum        'Fe F2'
_cod_database_code               9007536
_amcsd_formula_title             FeF2
Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures
Baur, W. H.; Khan, A. A.; Acta Crystallographica, Section B 27 (1971) 2133–2139; doi:10.1107/S0567740871005466

data_9007537
_publ_section_title
;
 Rutile-type compounds. IV.
 SiO2, GeO2 and a comparison with other rutile-type structures
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2133
_journal_page_last               2139
_journal_paper_doi               10.1107/S0567740871005466
_journal_volume                  27
_journal_year                    1971
_chemical_formula_structural     CoF2
_chemical_formula_sum            'Co F2'
_space_group_IT_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_length_a                   4.6954
_cell_length_b                   4.6954
_cell_length_c                   3.1774
_cell_formula_units_Z            2
_cell_volume                     70.051
_database_code_amcsd             0009410
_exptl_crystal_density_diffrn    4.595
_cod_database_code               9007537
_amcsd_formula_title             CoF2
Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures
Baur, W. H.; Khan, A. A.; Acta Crystallographica, Section B 27 (1971) 2133–2139; doi:10.1107/S0567740871005466

data_9007538
_publ_section_title
;
 Rutile-type compounds. IV.
 SiO2, GeO2 and a comparison with other rutile-type structures
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2133
_journal_page_last               2139
_journal_paper_doi               10.1107/S0567740871005466
_journal_volume                  27
_journal_year                    1971
_chemical_formula_structural     NiF2
_chemical_formula_sum            'F2 Ni'
_space_group_IT_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_length_a                   4.6498
_cell_length_b                   4.6498
_cell_length_c                   3.0838
_cell_formula_units_Z            2
_cell_volume                     66.674
_database_code_amcsd             0009411
_exptl_crystal_density_diffrn    4.816
_cod_original_formula_sum        'Ni F2'
_cod_database_code               9007538
_amcsd_formula_title             NiF2
Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures
Baur, W. H.; Khan, A. A.; Acta Crystallographica, Section B 27 (1971) 2133–2139; doi:10.1107/S0567740871005466

data_9007539
_publ_section_title
;
 Rutile-type compounds. IV.
 SiO2, GeO2 and a comparison with other rutile-type structures
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2133
_journal_page_last               2139
_journal_paper_doi               10.1107/S0567740871005466
_journal_volume                  27
_journal_year                    1971
_chemical_formula_structural     ZnF2
_chemical_formula_sum            'F2 Zn'
_space_group_IT_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_length_a                   4.7048
_cell_length_b                   4.7048
_cell_length_c                   3.1338
_cell_formula_units_Z            2
_cell_volume                     69.367
_database_code_amcsd             0009412
_exptl_crystal_density_diffrn    4.950
_cod_original_formula_sum        'Zn F2'
_cod_database_code               9007539
_amcsd_formula_title             ZnF2
Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Note: data from Cloud et al (1962)
Baur, W. H.; Khan, A. A.; Acta Crystallographica, Section B 27 (1971) 2133–2139; doi:10.1107/S0567740871005466

data_9007540
_publ_section_title
;
 Rutile-type compounds. IV.
 SiO2, GeO2 and a comparison with other rutile-type structures
 Note: data from Cloud et al (1962)
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2133
_journal_page_last               2139
_journal_paper_doi               10.1107/S0567740871005466
_journal_volume                  27
_journal_year                    1971
_chemical_formula_structural     CrO2
_chemical_formula_sum            'Cr O2'
_space_group_IT_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_length_a                   4.421
_cell_length_b                   4.421
_cell_length_c                   2.917
_cell_formula_units_Z            2
_cell_volume                     57.013
_database_code_amcsd             0009413
_exptl_crystal_density_diffrn    4.893
_cod_database_code               9007540
_amcsd_formula_title             CrO2
Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Note: data from Boman (1970)
Baur, W. H.; Khan, A. A.; Acta Crystallographica, Section B 27 (1971) 2133–2139; doi:10.1107/S0567740871005466

data_9007541
_publ_section_title
;
 Rutile-type compounds. IV.
 SiO2, GeO2 and a comparison with other rutile-type structures
 Note: data from Boman (1970)
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2133
_journal_page_last               2139
_journal_paper_doi               10.1107/S0567740871005466
_journal_volume                  27
_journal_year                    1971
_chemical_formula_structural     RuO2
_chemical_formula_sum            'O2 Ru'
_space_group_IT_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_length_a                   4.4919
_cell_length_b                   4.4919
_cell_length_c                   3.1066
_cell_formula_units_Z            2
_cell_volume                     62.682
_database_code_amcsd             0009414
_exptl_crystal_density_diffrn    7.050
_cod_original_formula_sum        'Ru O2'
_cod_database_code               9007541
_amcsd_formula_title             RuO2
Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Note: data from Boman (1970)
Baur, W. H.; Khan, A. A.; Acta Crystallographica, Section B 27 (1971) 2133–2139; doi:10.1107/S0567740871005466

data_9007542
_publ_section_title
;
 Rutile-type compounds. IV.
 SiO2, GeO2 and a comparison with other rutile-type structures
 Note: data from Boman (1970)
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2133
_journal_page_last               2139
_journal_paper_doi               10.1107/S0567740871005466
_journal_volume                  27
_journal_year                    1971
_chemical_formula_structural     OsO2
_chemical_formula_sum            'O2 Os'
_space_group_IT_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_length_a                   4.5003
_cell_length_b                   4.5003
_cell_length_c                   3.1839
_cell_formula_units_Z            2
_cell_volume                     64.483
_database_code_amcsd             0009415
_exptl_crystal_density_diffrn    11.444
_cod_original_formula_sum        'Os O2'
_cod_database_code               9007542
_amcsd_formula_title             OsO2
Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Note: data from Leciejewicz and Padlo (1962)
Baur, W. H.; Khan, A. A.; Acta Crystallographica, Section B 27 (1971) 2133–2139; doi:10.1107/S0567740871005466

data_9007543
_publ_section_title
;
 Rutile-type compounds. IV.
 SiO2, GeO2 and a comparison with other rutile-type structures
 Note: data from Leciejewicz and Padlo (1962)
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2133
_journal_page_last               2139
_journal_paper_doi               10.1107/S0567740871005466
_journal_volume                  27
_journal_year                    1971
_chemical_formula_sum            'O2 Pb'
_chemical_name_mineral           Plattnerite
_space_group_IT_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_length_a                   4.9568
_cell_length_b                   4.9568
_cell_length_c                   3.3866
_cell_formula_units_Z            2
_cell_volume                     83.208
_database_code_amcsd             0009416
_exptl_crystal_density_diffrn    9.547
_cod_original_formula_sum        'Pb O2'
_cod_database_code               9007543
The refinement of the crystal structure of skutterudite, CoAs3
Mandel, N.; Donohue, J.; Acta Crystallographica, Section B 27 (1971) 2288–2289; doi:10.1107/S0567740871005727

data_9007544
_publ_section_title
;
 The refinement of the crystal structure of skutterudite, CoAs3
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2288
_journal_page_last               2289
_journal_paper_doi               10.1107/S0567740871005727
_journal_volume                  27
_journal_year                    1971
_chemical_compound_source        'Bou-Azzer, Morocco'
_chemical_formula_sum            'As3 Co0.87 Fe0.11 Ni0.13'
_chemical_name_mineral           Skutterudite
_space_group_IT_number           204
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.195
_cell_length_b                   8.195
_cell_length_c                   8.195
_cell_formula_units_Z            8
_cell_volume                     550.360
_database_code_amcsd             0009417
_exptl_crystal_density_diffrn    6.995
_cod_original_sg_symbol_H-M      'I m 3'
_cod_original_formula_sum        'Co.87 Fe.11 Ni.13 As3'
_cod_database_code               9007544
A neutron and X-ray refinement of the crystal structure of CaHAsO4*H2O (haidingerite) Sample: neutron refinement Locality: synthetic
Ferraris, G.; Jones, D. W.; Yerkess, J.; Acta Crystallographica, Section B 28 (1972) 209–214; doi:10.1107/S0567740872002080

data_9007545
_publ_section_title
;A neutron and X-ray refinement of the crystal structure of CaHAsO4*H2O
 (haidingerite) Sample: neutron refinement Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              209
_journal_page_last               214
_journal_paper_doi               10.1107/S0567740872002080
_journal_volume                  28
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As Ca H3 O5'
_chemical_name_mineral           Haidingerite
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2b 2ac'
_symmetry_space_group_name_H-M   'P c n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.904
_cell_length_b                   16.161
_cell_length_c                   7.935
_cell_volume                     885.352
_database_code_amcsd             0009420
_exptl_crystal_density_diffrn    2.971
_cod_original_formula_sum        'Ca As O5 H3'
_cod_database_code               9007545