LMucko/crystallography-open-database huggingface dataset:
X-ray measurement of the thermal expansion of ammonium chloride Sample: T = 31.5 C
Sirdeshmukh D B; Deshpande V T; Acta Crystallographica, Section A 26 (1970) 295–295; doi:10.1107/S0567739470000700

data_9007493
_publ_section_title
;
 X-ray measurement of the thermal expansion of ammonium chloride
 Sample: T = 31.5 C
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica, Section A'
_journal_page_first              295
_journal_page_last               295
_journal_paper_doi               10.1107/S0567739470000700
_journal_volume                  26
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cl N'
_chemical_name_mineral           'Sal ammoniac'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8771
_cell_length_b                   3.8771
_cell_length_c                   3.8771
_cell_volume                     58.280
_database_code_amcsd             0009319
_diffrn_ambient_temperature      304.65
_exptl_crystal_density_diffrn    1.409
_cod_original_formula_sum        'N Cl'
_cod_database_code               9007493
X-ray measurement of the thermal expansion of ammonium chloride Sample: T = 54.0 C
Sirdeshmukh D B; Deshpande V T; Acta Crystallographica, Section A 26 (1970) 295–295; doi:10.1107/S0567739470000700

data_9007494
_publ_section_title
;
 X-ray measurement of the thermal expansion of ammonium chloride
 Sample: T = 54.0 C
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica, Section A'
_journal_page_first              295
_journal_page_last               295
_journal_paper_doi               10.1107/S0567739470000700
_journal_volume                  26
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cl N'
_chemical_name_mineral           'Sal ammoniac'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8822
_cell_length_b                   3.8822
_cell_length_c                   3.8822
_cell_volume                     58.510
_database_code_amcsd             0009320
_diffrn_ambient_temperature      327.15
_exptl_crystal_density_diffrn    1.404
_cod_original_formula_sum        'N Cl'
_cod_database_code               9007494
Magnetische struktur von Mn(Nb0.5Ta0.5)2O6, manganotantalit Note: columbite structure
Klein, S.; Weitzel, H.; Acta Crystallographica, Section A 32 (1976) 587–591; doi:10.1107/S0567739476001253

data_9007495
_publ_section_title
;
 Magnetische struktur von Mn(Nb0.5Ta0.5)2O6, manganotantalit
 Note: columbite structure
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica, Section A'
_journal_page_first              587
_journal_page_last               591
_journal_paper_doi               10.1107/S0567739476001253
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'Mn Nb O6 Ta'
_chemical_name_mineral           Manganotantalite
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   14.418
_cell_length_b                   5.76
_cell_length_c                   5.099
_cell_formula_units_Z            4
_cell_volume                     423.460
_exptl_crystal_density_diffrn    6.663
_cod_original_formula_sum        'Mn (Nb Ta) O6'
_cod_database_code               9007495
_database_code_amcsd 0009322
Electric field gradients and charge density in corundum alpha-Al2O3
Lewis, J.; Schwarzenbach, D.; Flack, H. D.; Acta Crystallographica, Section A 38 (1982) 733–739; doi:10.1107/S0567739482001478

data_9007496
_publ_section_title
;
 Electric field gradients and charge density in corundum alpha-Al2O3
;
_journal_name_full               'Acta Crystallographica, Section A'
_journal_page_first              733
_journal_page_last               739
_journal_paper_doi               10.1107/S0567739482001478
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'Al2 O3'
_chemical_name_mineral           Corundum
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.7602
_cell_length_b                   4.7602
_cell_length_c                   12.9933
_cell_formula_units_Z            6
_cell_volume                     254.977
_database_code_amcsd             0009325
_exptl_crystal_density_diffrn    3.984
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               9007496
Accurate structure analysis with synchrotron radiation. The electron density in Al2O3 and Cu2O Note: Atomic parameters were mislabeled in the publication. They have been fixed in this dataset.
Kirfel, A.; Eichhorn, K.; Acta Crystallographica, Section A 46 (1990) 271–284; doi:10.1107/S0108767389012596

data_9007497
_publ_section_title
;
 Accurate structure analysis with synchrotron radiation.
 The electron density in Al2O3 and Cu2O
 Note: Atomic parameters were mislabeled in the publication.
 They have been fixed in this dataset.
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica, Section A'
_journal_page_first              271
_journal_page_last               284
_journal_paper_doi               10.1107/S0108767389012596
_journal_volume                  46
_journal_year                    1990
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu2 O'
_chemical_name_mineral           Cuprite
_space_group_IT_number           224
_symmetry_space_group_name_Hall  'P 4n 2 3 -1n'
_symmetry_space_group_name_H-M   'P n -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.2685
_cell_length_b                   4.2685
_cell_length_c                   4.2685
_cell_volume                     77.772
_database_code_amcsd             0009326
_exptl_crystal_density_diffrn    6.110
_cod_original_sg_symbol_H-M      'P n 3 m'
_cod_database_code               9007497
Accurate structure analysis with synchrotron radiation. The electron density in Al2O3 and Cu2O
Kirfel, A.; Eichhorn, K.; Acta Crystallographica, Section A 46 (1990) 271–284; doi:10.1107/S0108767389012596

data_9007498
_publ_section_title
;
 Accurate structure analysis with synchrotron radiation.
 The electron density in Al2O3 and Cu2O
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica, Section A'
_journal_page_first              271
_journal_page_last               284
_journal_paper_doi               10.1107/S0108767389012596
_journal_volume                  46
_journal_year                    1990
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 O3'
_chemical_name_mineral           Corundum
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.7570
_cell_length_b                   4.7570
_cell_length_c                   12.9877
_cell_formula_units_Z            6
_cell_volume                     254.524
_database_code_amcsd             0009327
_exptl_crystal_density_diffrn    3.991
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               9007498
Direct methods in superspace. II The first application to an unknown incommensurate modulated structure Note: this is the average structure, isomorphous with hollandite Note: y-coordinate of O2 altered from .248 to make regular TiO6 polyhedra
Xiang, Shi-Bin; Fan, Hai-Fu; Wu, Xiao-Jing; Li, Fang-Hua; Pan, Q.; Acta Crystallographica, Section A 46 (1990) 929–934; doi:10.1107/S0108767390007607

data_9007499
_publ_section_title
;
 Direct methods in superspace. II The first application to an unknown
 incommensurate modulated structure
 Note: this is the average structure, isomorphous with hollandite
 Note: y-coordinate of O2 altered from .248 to make regular TiO6 polyhedra
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica, Section A'
_journal_page_first              929
_journal_page_last               934
_journal_paper_doi               10.1107/S0108767390007607
_journal_volume                  46
_journal_year                    1990
_chemical_compound_source
'Shiti barite deposit, Ankang County, Shaanxi, China'
_chemical_formula_sum            'Ba0.4 O8 Ti4'
_chemical_name_mineral           Ankangite
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.12
_cell_length_b                   10.12
_cell_length_c                   2.96
_cell_formula_units_Z            2
_cell_volume                     303.147
_database_code_amcsd             0009328
_exptl_crystal_density_diffrn    4.102
_cod_original_formula_sum        'Ba.4 Ti4 O8'
_cod_database_code               9007499
Die kristallstruktur von Ag3AsS3
Engel, P.; Nowacki, W.; Acta Crystallographica, Section B 24 (1968) 77–81; doi:10.1107/S056774086800172X

data_9007500
_publ_section_title
;
 Die kristallstruktur von Ag3AsS3
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              77
_journal_page_last               81
_journal_paper_doi               10.1107/S056774086800172X
_journal_volume                  24
_journal_year                    1968
_chemical_formula_sum            'Ag3 As S3'
_chemical_name_mineral           Xanthoconite
_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                 110.00
_cell_angle_gamma                90
_cell_length_a                   12.00
_cell_length_b                   6.26
_cell_length_c                   17.08
_cell_formula_units_Z            8
_cell_volume                     1205.672
_database_code_amcsd             0009336
_exptl_crystal_density_diffrn    5.451
_cod_database_code               9007500
On the crystal chemistry of salt hydrates. V. The determination of the crystal structure of CuSO4*3H2O (bonattite) Locality: synthetic
Zahrobsky, R. F.; Baur, W. H.; Acta Crystallographica, Section B 24 (1968) 508–513; doi:10.1107/S0567740868002748

data_9007501
_publ_section_title
;On the crystal chemistry of salt hydrates. V. The determination of the
 crystal structure of CuSO4*3H2O (bonattite) Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              508
_journal_page_last               513
_journal_paper_doi               10.1107/S0567740868002748
_journal_volume                  24
_journal_year                    1968
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu H6 O7 S'
_chemical_name_mineral           Bonattite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.05
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.592
_cell_length_b                   13.029
_cell_length_c                   7.341
_cell_volume                     530.808
_database_code_amcsd             0009338
_exptl_crystal_density_diffrn    2.674
_cod_depositor_comments
;
  Z value inserted to be consistent with given formula
                               Miguel.
;
_cod_original_formula_sum        'Cu S O7 H6'
_cod_database_code               9007501
Die kristallstruktur des botryogens
Susse, P.; Acta Crystallographica, Section B 24 (1968) 760–767; doi:10.1107/S0567740868003171

data_9007502
_publ_section_title
;
 Die kristallstruktur des botryogens
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              760
_journal_page_last               767
_journal_paper_doi               10.1107/S0567740868003171
_journal_volume                  24
_journal_year                    1968
_chemical_compound_source        'Rammelsberg mine near Goslar, Germany'
_chemical_formula_sum            'Fe1.08 H15 Mg0.2 Mn0.25 O16 S2 Zn0.47'
_chemical_name_mineral           Zincobotryogen
_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                 100.13
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.526
_cell_length_b                   17.872
_cell_length_c                   7.136
_cell_volume                     1321.502
_cod_original_formula_sum        'Zn.47 Mn.25 Mg.2 Fe1.08 S2 O16 H11.25'
_cod_database_code               9007502
Si3O10 groups in the crystal structure of ardennite
Donnay G; Allmann R; Acta Crystallographica, Section B 24 (1968) 845–855; doi:10.1107/S0567740868003274

data_9007503
_publ_section_title
;
 Si3O10 groups in the crystal structure of ardennite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              845
_journal_page_last               855
_journal_paper_doi               10.1107/S0567740868003274
_journal_volume                  24
_journal_year                    1968
_chemical_formula_sum
'Al4.3 As0.905 Ca0.47 Cu0.06 Fe0.2 H4 Mg Mn3.53 O28 Si5 V0.095'
_chemical_name_mineral           Ardennite
_space_group_IT_number           59
_symmetry_space_group_name_Hall  '-P 2c 2bc'
_symmetry_space_group_name_H-M   'P n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.7126
_cell_length_b                   5.8108
_cell_length_c                   18.5214
_cell_volume                     937.686
_cod_original_sg_symbol_H-M      'P n m m'
_cod_original_formula_sum
'Mn3.53 Ca.47 Al4.3 Mg Fe.2 Cu.06 Si5 (As.905 V.095) O28 H4'
_cod_database_code               9007503
Die kristallstruktur des arsensaurehydrates 2H3AsO4.H2O
Worzala, H.; Acta Crystallographica, Section B 24 (1968) 987–991; doi:10.1107/S0567740868003602

data_9007504
_publ_section_title
;
 Die kristallstruktur des arsensaurehydrates 2H3AsO4.H2O
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              987
_journal_page_last               991
_journal_paper_doi               10.1107/S0567740868003602
_journal_volume                  24
_journal_year                    1968
_chemical_formula_structural     2(H3AsO4).H2O
_chemical_formula_sum            'As2 H8 O9'
_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                 109.6
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.60
_cell_length_b                   13.29
_cell_length_c                   8.24
_cell_volume                     784.049
_database_code_amcsd             0009343
_exptl_crystal_density_diffrn    2.558
_cod_original_formula_sum        'As2 (O9 H8)'
_cod_database_code               9007504
_amcsd_formula_title             2(H3AsO4).H2O
The crystal structure of serpierite
Sabelli, C.; Zanazzi, P. F.; Acta Crystallographica, Section B 24 (1968) 1214–1221; doi:10.1107/S0567740868004000

data_9007505
_publ_section_title
;
 The crystal structure of serpierite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1214
_journal_page_last               1221
_journal_paper_doi               10.1107/S0567740868004000
_journal_volume                  24
_journal_year                    1968
_chemical_compound_source        'Laurion mine, Greece'
_chemical_formula_sum            'Ca Cu2.64 H12 O17 S2 Zn1.36'
_chemical_name_mineral           Serpierite
_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                 113.36
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   22.186
_cell_length_b                   6.250
_cell_length_c                   21.853
_cell_volume                     2781.812
_database_code_amcsd             0009345
_exptl_crystal_density_diffrn    3.080
_cod_original_formula_sum        'Ca (Cu2.64 Zn1.36) S2 O17 H12'
_cod_database_code               9007505
The crystal structure of grandidierite, (Mg,Fe)Al3SiBO9
Stephenson, D. A.; Moore, P. B.; Acta Crystallographica, Section B 24 (1968) 1518–1522; doi:10.1107/S0567740868004577

data_9007506
_publ_section_title
;
 The crystal structure of grandidierite, (Mg,Fe)Al3SiBO9
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1518
_journal_page_last               1522
_journal_paper_doi               10.1107/S0567740868004577
_journal_volume                  24
_journal_year                    1968
_chemical_compound_source        'Fort Dauphin, Madagascar'
_chemical_formula_sum            'Al3 B Fe0.1 Mg0.9 O9 Si'
_chemical_name_mineral           Grandidierite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.335
_cell_length_b                   10.978
_cell_length_c                   5.760
_cell_formula_units_Z            4
_cell_volume                     653.516
_database_code_amcsd             0009346
_exptl_crystal_density_diffrn    2.961
_cod_original_formula_sum        '(Mg.9 Fe.1) Al3 Si B O9'
_cod_database_code               9007506
Refinement of the structure of NaBF4
Brunton, G.; Acta Crystallographica, Section B 24 (1968) 1703–1704; doi:10.1107/S0567740868004905

data_9007507
_publ_section_title
;
 Refinement of the structure of NaBF4
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1703
_journal_page_last               1704
_journal_paper_doi               10.1107/S0567740868004905
_journal_volume                  24
_journal_year                    1968
_chemical_compound_source        Synthetic
_chemical_formula_sum            'B F4 Na'
_chemical_name_mineral           Ferruccite
_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                   6.8368
_cell_length_b                   6.2619
_cell_length_c                   6.7916
_cell_formula_units_Z            4
_cell_volume                     290.758
_database_code_amcsd             0009350
_exptl_crystal_density_diffrn    2.508
_cod_original_formula_sum        'Na B F4'
_cod_database_code               9007507
The crystal structure of KBF4
Brunton, G.; Acta Crystallographica, Section B 25 (1969) 2161–2162; doi:10.1107/S0567740869005309

data_9007508
_publ_section_title
;
 The crystal structure of KBF4
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2161
_journal_page_last               2162
_journal_paper_doi               10.1107/S0567740869005309
_journal_volume                  25
_journal_year                    1969
_chemical_formula_sum            'B F4 K'
_chemical_name_mineral           Avogadrite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.6588
_cell_length_b                   5.4800
_cell_length_c                   7.0299
_cell_volume                     333.570
_database_code_amcsd             0009363
_exptl_crystal_density_diffrn    2.507
_cod_original_formula_sum        'K B F4'
_cod_database_code               9007508
On the crystal structure of pumpellyite
Galli, E.; Alberti, A.; Acta Crystallographica, Section B 25 (1969) 2276–2281; doi:10.1107/S0567740869005565

data_9007509
_publ_section_title
;
 On the crystal structure of pumpellyite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2276
_journal_page_last               2281
_journal_paper_doi               10.1107/S0567740869005565
_journal_volume                  25
_journal_year                    1969
_chemical_formula_sum            'Al2.71 Ca1.9 Fe0.15 H3 Mg0.45 O14 Si2.79'
_chemical_name_mineral           Pumpellyite-(Mg)
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-A 2y'
_symmetry_space_group_name_H-M   'A 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.12
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.83
_cell_length_b                   5.9
_cell_length_c                   19.17
_cell_volume                     990.998
_database_code_amcsd             0009365
_exptl_crystal_density_diffrn    3.177
_cod_original_formula_sum        'Al2.71 Mg.45 Fe.15 Ca1.9 Si2.79 O14 H3'
_cod_database_code               9007509
Die kristallstruktur von stephanit, [SbS3|S|Ag5]
Ribar, B.; Nowacki, W.; Acta Crystallographica, Section B 26 (1970) 201–207; doi:10.1107/S0567740870002157

data_9007510
_publ_section_title
;
 Die kristallstruktur von stephanit, [SbS3|S|Ag5]
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              201
_journal_page_last               207
_journal_paper_doi               10.1107/S0567740870002157
_journal_volume                  26
_journal_year                    1970
_chemical_formula_sum            'Ag5 S4 Sb'
_chemical_name_mineral           Stephanite
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.873
_cell_length_b                   12.467
_cell_length_c                   8.583
_cell_formula_units_Z            4
_cell_volume                     842.445
_database_code_amcsd             0009367
_exptl_crystal_density_diffrn    6.224
_cod_original_formula_sum        'Sb Ag5 S4'
_cod_database_code               9007510