LMucko/crystallography-open-database huggingface dataset:
Verfeinerung des beta-rhomboedrischen bors
Geist, D.; Kloss, R.; Follner, H.; Acta Crystallographica, Section B 26 (1970) 1800–1802; doi:10.1107/S0567740870004910

data_9011109
_publ_section_title
;
 Verfeinerung des beta-rhomboedrischen bors
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1800
_journal_page_last               1802
_journal_paper_doi               10.1107/S0567740870004910
_journal_volume                  26
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            B35
_chemical_name_mineral           Boron
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                65.12
_cell_angle_beta                 65.12
_cell_angle_gamma                65.12
_cell_length_a                   10.17
_cell_length_b                   10.17
_cell_length_c                   10.17
_cell_formula_units_Z            3
_cell_volume                     826.857
_database_code_amcsd             0009380
_exptl_crystal_density_diffrn    2.280
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               9011109
A propos de la cliffordite UTe3O8. Le Systeme UO3-TeO2 a 700 C. Structure cristalline de UTe3O9 Sample: T = 700 C
Galy, J.; Meunier, G.; Acta Crystallographica, Section B 27 (1971) 608–616; doi:10.1107/S0567740871002632

data_9011110
_publ_section_title
;
 A propos de la cliffordite UTe3O8. Le Systeme UO3-TeO2 a 700 C. Structure
 cristalline de UTe3O9
 Sample: T = 700 C
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              608
_journal_page_last               616
_journal_paper_doi               10.1107/S0567740871002632
_journal_volume                  27
_journal_year                    1971
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O9 Te3 U'
_chemical_name_mineral           Cliffordite
_space_group_IT_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_length_a                   11.370
_cell_length_b                   11.370
_cell_length_c                   11.370
_cell_formula_units_Z            8
_cell_volume                     1469.878
_database_code_amcsd             0009388
_diffrn_ambient_temperature      973.15
_exptl_crystal_density_diffrn    6.912
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'U Te3 O9'
_cod_database_code               9011110
An OD-Disordered modification of the calcium monoborate dihydrate Ca[B(OH)4]2*2H2O Sample: MDO (1)
Sedlacek, P.; Dornberger-Schiff K; Acta Crystallographica, Section B 27 (1971) 1532–1541; doi:10.1107/S0567740871004357

data_9011111
_publ_section_title
;
 An OD-Disordered modification of the calcium monoborate dihydrate
 Ca[B(OH)4]2*2H2O
 Sample: MDO (1)
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1532
_journal_page_last               1541
_journal_paper_doi               10.1107/S0567740871004357
_journal_volume                  27
_journal_year                    1971
_chemical_compound_source        Synthetic
_chemical_formula_sum            'B2 Ca H12 O10'
_chemical_name_mineral           Hexahydroborite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.9
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.07999
_cell_length_b                   6.69
_cell_length_c                   7.95
_cell_volume                     826.466
_database_code_amcsd             0009397
_exptl_crystal_density_diffrn    1.855
_cod_original_formula_sum        'Ca B2 O10 H12'
_cod_database_code               9011111
An OD-Disordered modification of the calcium monoborate dihydrate Ca[B(OH)4]2*2H2O Sample: MDO (2)
Sedlacek, P.; Dornberger-Schiff K; Acta Crystallographica, Section B 27 (1971) 1532–1541; doi:10.1107/S0567740871004357

data_9011112
_publ_section_title
;
 An OD-Disordered modification of the calcium monoborate dihydrate
 Ca[B(OH)4]2*2H2O
 Sample: MDO (2)
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1532
_journal_page_last               1541
_journal_paper_doi               10.1107/S0567740871004357
_journal_volume                  27
_journal_year                    1971
_chemical_compound_source        Synthetic
_chemical_formula_sum            'B2 Ca H12 O10'
_chemical_name_mineral           Hexahydroborite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.9
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.04
_cell_length_b                   6.69
_cell_length_c                   7.95
_cell_volume                     413.233
_database_code_amcsd             0009398
_exptl_crystal_density_diffrn    1.855
_cod_original_formula_sum        'Ca B2 O10 H12'
_cod_database_code               9011112
The crystal structure of brownmillerite, Ca2FeAlO5 Note: no bond lengths could be reproduced
Colville, A. A.; Geller, S.; Acta Crystallographica, Section B 27 (1971) 2311–2315; doi:10.1107/S056774087100579X

data_9011113
_publ_section_title
;
 The crystal structure of brownmillerite, Ca2FeAlO5
 Note: no bond lengths could be reproduced
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2311
_journal_page_last               2315
_journal_paper_doi               10.1107/S056774087100579X
_journal_volume                  27
_journal_year                    1971
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al Ca2 Fe O5'
_chemical_name_mineral           Brownmillerite
_space_group_IT_number           46
_symmetry_space_group_name_Hall  'I 2 -2b'
_symmetry_space_group_name_H-M   'I b m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.584
_cell_length_b                   14.60
_cell_length_c                   5.374
_cell_formula_units_Z            4
_cell_volume                     438.123
_database_code_amcsd             0009418
_exptl_crystal_density_diffrn    3.684
_cod_original_formula_sum        'Ca2 (Fe Al) O5'
_cod_database_code               9011113
The crystal structure of guanine monohydrate
Thewalt, U.; Bugg, C. E.; Marsh, R. E.; Acta Crystallographica, Section B 27 (1971) 2358–2362; doi:10.1107/S0567740871005880

data_9011114
_publ_section_title
;
 The crystal structure of guanine monohydrate
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2358
_journal_page_last               2362
_journal_paper_doi               10.1107/S0567740871005880
_journal_volume                  27
_journal_year                    1971
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C5 H7 N5 O2'
_chemical_name_mineral           Guanine
_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                 96.8
_cell_angle_gamma                90
_cell_length_a                   16.510
_cell_length_b                   11.277
_cell_length_c                   3.645
_cell_formula_units_Z            4
_cell_volume                     673.864
_database_code_amcsd             0009419
_exptl_crystal_density_diffrn    1.667
_cod_database_code               9011114
Synthetic magnesian merrihueite, dipotassium pentamagnesium dodecasilicate: a tetrahedral magnesiosilicate framework crystal structure
Khan, A. A.; Baur, W. H.; Forbes, W. C.; Acta Crystallographica, Section B 28 (1972) 267–272; doi:10.1107/S0567740872002171

data_9011115
_publ_section_title
;
 Synthetic magnesian merrihueite, dipotassium pentamagnesium dodecasilicate:
 a tetrahedral magnesiosilicate framework crystal structure
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              267
_journal_page_last               272
_journal_paper_doi               10.1107/S0567740872002171
_journal_volume                  28
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            'K2 Mg5 O30 Si12'
_chemical_name_mineral           Merrihueite
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.222
_cell_length_b                   10.222
_cell_length_c                   14.152
_cell_formula_units_Z            2
_cell_volume                     1280.620
_database_code_amcsd             0009423
_exptl_crystal_density_diffrn    2.637
_cod_original_formula_sum        'K2 Mg5 Si12 O30'
_cod_database_code               9011115
Refinement of the crystal structure of alpha-monoclinic Se Sample: at T = 26 C Note: structure known as alpha phase
Cherin, P.; Unger, P.; Acta Crystallographica, Section B 28 (1972) 313–317; doi:10.1107/S0567740872002249

data_9011116
_publ_section_title
;
 Refinement of the crystal structure of alpha-monoclinic Se
 Sample: at T = 26 C
 Note: structure known as alpha phase
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              313
_journal_page_last               317
_journal_paper_doi               10.1107/S0567740872002249
_journal_volume                  28
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            Se8
_chemical_name_mineral           Selenium
_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                 90.81
_cell_angle_gamma                90
_cell_length_a                   9.054
_cell_length_b                   9.083
_cell_length_c                   11.601
_cell_formula_units_Z            4
_cell_volume                     953.942
_database_code_amcsd             0009424
_diffrn_ambient_temperature      299.15
_exptl_crystal_density_diffrn    4.398
_cod_database_code               9011116
The crystal structure of two compounds found in dental amalgam: Ag2Hg3 and Ag3Sn
Fairhurst, C. W.; Cohen, J. B.; Acta Crystallographica, Section B 28 (1972) 371–378; doi:10.1107/S0567740872002432

data_9011117
_publ_section_title
;
 The crystal structure of two compounds found in dental amalgam: Ag2Hg3 and
 Ag3Sn
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              371
_journal_page_last               378
_journal_paper_doi               10.1107/S0567740872002432
_journal_volume                  28
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ag5 Hg7.55'
_chemical_name_mineral           Moschellandsbergite
_space_group_IT_number           197
_symmetry_space_group_name_Hall  'I 2 2 3'
_symmetry_space_group_name_H-M   'I 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.0506
_cell_length_b                   10.0506
_cell_length_c                   10.0506
_cell_formula_units_Z            4
_cell_volume                     1015.257
_database_code_amcsd             0009425
_exptl_crystal_density_diffrn    13.437
_cod_database_code               9011117
The crystal structure of two compounds found in dental amalgam: Ag2Hg3 and Ag3Sn
Fairhurst, C. W.; Cohen, J. B.; Acta Crystallographica, Section B 28 (1972) 371–378; doi:10.1107/S0567740872002432

data_9011118
_publ_section_title
;
 The crystal structure of two compounds found in dental amalgam: Ag2Hg3 and
 Ag3Sn
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              371
_journal_page_last               378
_journal_paper_doi               10.1107/S0567740872002432
_journal_volume                  28
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_structural     Ag3Sn
_chemical_formula_sum            'Ag3 Sn'
_space_group_IT_number           59
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.968
_cell_length_b                   4.7802
_cell_length_c                   5.1843
_cell_formula_units_Z            2
_cell_volume                     147.899
_database_code_amcsd             0009426
_exptl_crystal_density_diffrn    9.932
_cod_original_sg_symbol_H-M      'P m m n'
_cod_database_code               9011118
_amcsd_formula_title             Ag3Sn
Die kristallstruktur des phtalimids (kladnoit)
Matzat, E.; Acta Crystallographica, Section B 28 (1972) 415–418; doi:10.1107/S056774087200250X

data_9011119
_publ_section_title
;
 Die kristallstruktur des phtalimids (kladnoit)
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              415
_journal_page_last               418
_journal_paper_doi               10.1107/S056774087200250X
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'C8 H5 N O2'
_chemical_name_mineral           Kladnoite
_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                 91.36
_cell_angle_gamma                90
_cell_length_a                   22.83
_cell_length_b                   7.651
_cell_length_c                   3.810
_cell_formula_units_Z            4
_cell_volume                     665.314
_database_code_amcsd             0009427
_exptl_crystal_density_diffrn    1.469
_cod_original_formula_sum        'C8 N O2 H5'
_cod_database_code               9011119
Structure cristalline de Ga-gamma Sample: at T = 220 K Note: structure known as gamma phase
Bosio, L.; Curien, H.; Dupont, M.; Rimsky, A.; Acta Crystallographica, Section B 28 (1972) 1974–1975; doi:10.1107/S0567740872005357

data_9011120
_publ_section_title
;
 Structure cristalline de Ga-gamma
 Sample: at T = 220 K
 Note: structure known as gamma phase
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1974
_journal_page_last               1975
_journal_paper_doi               10.1107/S0567740872005357
_journal_volume                  28
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            Ga
_chemical_name_mineral           Gallium
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.593
_cell_length_b                   13.523
_cell_length_c                   5.203
_cell_formula_units_Z            40
_cell_volume                     745.325
_database_code_amcsd             0009437
_diffrn_ambient_temperature      220
_exptl_crystal_density_diffrn    6.214
_cod_database_code               9011120
The crystal structure of diammonium hydrogen phosphate, (NH4)2HPO4
Khan, A. A.; Roux, J. P.; James, W. J.; Acta Crystallographica, Section B 28 (1972) 2065–2069; doi:10.1107/S0567740872005539

data_9011121
_publ_section_title
;
 The crystal structure of diammonium hydrogen phosphate, (NH4)2HPO4
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2065
_journal_page_last               2069
_journal_paper_doi               10.1107/S0567740872005539
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'H9 N2 O4 P'
_chemical_name_mineral           Phosphammite
_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                 113.42
_cell_angle_gamma                90
_cell_length_a                   11.043
_cell_length_b                   6.700
_cell_length_c                   8.031
_cell_formula_units_Z            4
_cell_volume                     545.246
_database_code_amcsd             0009438
_exptl_crystal_density_diffrn    1.609
_cod_original_formula_sum        'N2 H9 P O4'
_cod_database_code               9011121
Die kristallstruktur von MoO3*2H2O
Krebs, B.; Acta Crystallographica, Section B 28 (1972) 2222–2231; doi:10.1107/S0567740872005849

data_9011122
_publ_section_title
;
 Die kristallstruktur von MoO3*2H2O
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2222
_journal_page_last               2231
_journal_paper_doi               10.1107/S0567740872005849
_journal_volume                  28
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H4 Mo O5'
_chemical_name_mineral           Sidwillite
_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                 91.62
_cell_angle_gamma                90
_cell_length_a                   10.476
_cell_length_b                   13.822
_cell_length_c                   10.606
_cell_formula_units_Z            16
_cell_volume                     1535.127
_database_code_amcsd             0009439
_exptl_crystal_density_diffrn    3.115
_cod_original_formula_sum        'Mo O5 H4'
_cod_database_code               9011122
Isotope and bonding effects in ammonium oxalate monohydrate, determined by the combined use of neutron and X-ray diffraction analyses Locality: synthetic Sample: HOX(XR)
Taylor, J. C.; Sabine, T. M.; Acta Crystallographica, Section B 28 (1972) 3340–3351; doi:10.1107/S0567740872007927

data_9011123
_publ_section_title
;Isotope and bonding effects in ammonium oxalate monohydrate, determined by
 the combined use of neutron and X-ray diffraction analyses Locality:
 synthetic Sample: HOX(XR)
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3340
_journal_page_last               3351
_journal_paper_doi               10.1107/S0567740872007927
_journal_volume                  28
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C2 H10 N2 O5'
_chemical_name_mineral           Oxammite
_space_group_IT_number           18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.035
_cell_length_b                   10.309
_cell_length_c                   3.795
_cell_volume                     314.351
_cell_formula_units_Z            2
_database_code_amcsd             0009458
_exptl_crystal_density_diffrn    1.501
_cod_original_formula_sum        'N2 H10 C2 O5'
_cod_database_code               9011123
Isotope and bonding effects in ammonium oxalate monohydrate, determined by the combined use of neutron and X-ray diffraction analyses Locality: synthetic Sample: NOX(XR)
Taylor, J. C.; Sabine, T. M.; Acta Crystallographica, Section B 28 (1972) 3340–3351; doi:10.1107/S0567740872007927

data_9011124
_publ_section_title
;Isotope and bonding effects in ammonium oxalate monohydrate, determined by
 the combined use of neutron and X-ray diffraction analyses Locality:
 synthetic Sample: NOX(XR)
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3340
_journal_page_last               3351
_journal_paper_doi               10.1107/S0567740872007927
_journal_volume                  28
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C2 H10 N2 O5'
_chemical_name_mineral           Oxammite
_space_group_IT_number           18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.025
_cell_length_b                   10.300
_cell_length_c                   3.799
_cell_volume                     314.016
_cell_formula_units_Z            2
_database_code_amcsd             0009459
_exptl_crystal_density_diffrn    1.503
_cod_original_formula_sum        'N2 H10 C2 O5'
_cod_database_code               9011124
Isotope and bonding effects in ammonium oxalate monohydrate, determined by the combined use of neutron and X-ray diffraction analyses Locality: synthetic Sample: DOX(XR)
Taylor, J. C.; Sabine, T. M.; Acta Crystallographica, Section B 28 (1972) 3340–3351; doi:10.1107/S0567740872007927

data_9011125
_publ_section_title
;Isotope and bonding effects in ammonium oxalate monohydrate, determined by
 the combined use of neutron and X-ray diffraction analyses Locality:
 synthetic Sample: DOX(XR)
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3340
_journal_page_last               3351
_journal_paper_doi               10.1107/S0567740872007927
_journal_volume                  28
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C2 H10 N2 O5'
_chemical_name_mineral           Oxammite
_space_group_IT_number           18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.027
_cell_length_b                   10.298
_cell_length_c                   3.816
_cell_volume                     315.438
_cell_formula_units_Z            2
_database_code_amcsd             0009460
_exptl_crystal_density_diffrn    1.496
_cod_original_formula_sum        'N2 H10 C2 O5'
_cod_database_code               9011125