LMucko/crystallography-open-database huggingface dataset:
Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy). IV. Giacovazzoite, K5Fe3+3O(SO4)6(H2O)9*H2O, the natural analogue of the beta-Maus's salt and its dehydration product Note: this is the dehydration product
Biagioni, C.; Bindi, L.; Mauro, D.; Pasero, M.; Physics and Chemistry of Minerals 47 (2020) –7; doi:

data_9017285
_publ_section_title
;
 Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy).
 IV. Giacovazzoite, K5Fe3+3O(SO4)6(H2O)9*H2O, the natural analogue of the beta-Maus's salt
 and its dehydration product
 Note: this is the dehydration product
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_last               7
_journal_volume                  47
_journal_year                    2020
_chemical_compound_source
'the Monte Arsiccio mine, Apuan Alps, Tuscany, Italy'
_chemical_formula_sum            'Fe3 H8 K5 O31.52 S6'
_chemical_name_mineral           Giacovazzoite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.3810
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.3434
_cell_length_b                   18.1838
_cell_length_c                   17.7702
_cell_volume                     3000.427
_database_code_amcsd             0020911
_exptl_crystal_density_diffrn    2.364
_cod_data_source_file            inputs/fixed/downloads/10/10504.cif
_cod_data_source_block           10504
_cod_original_formula_sum        'K5 Fe3 S6 O31.52 H8'
_cod_database_code               9017285
Crystal structure and thermal behavior of Bi6Te2O15: investigation of synthetic and natural pingguite
Nenert, G.; Missen, O. P.; Lian, H.; Weil, M.; Blake, G. R.; Kampf, A. R.; Mills, S. J.; Physics and Chemistry of Minerals 47 (2020) –53; doi:

data_9017286
_publ_section_title
;
 Crystal structure and thermal behavior of Bi6Te2O15: investigation of
 synthetic and natural pingguite
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_last               53
_journal_volume                  47
_journal_year                    2020
_chemical_compound_source        'Blue Bell mine, California, USA'
_chemical_formula_sum            'Bi6 O15 Te2'
_chemical_name_mineral           Pingguite
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.637
_cell_length_b                   22.797
_cell_length_c                   5.4136
_cell_formula_units_Z            4
_cell_volume                     1312.753
_database_code_amcsd             0020925
_exptl_crystal_density_diffrn    8.850
_cod_data_source_file            inputs/fixed/downloads/10/10505.cif
_cod_data_source_block           10505
_cod_original_formula_sum        'Bi6 Te2 O15'
_cod_database_code               9017286
Crystal structure and thermal behavior of Bi6Te2O15: investigation of synthetic and natural pingguite
Nenert, G.; Missen, O. P.; Lian, H.; Weil, M.; Blake, G. R.; Kampf, A. R.; Mills, S. J.; Physics and Chemistry of Minerals 47 (2020) –53; doi:

data_9017287
_publ_section_title
;
 Crystal structure and thermal behavior of Bi6Te2O15: investigation of
 synthetic and natural pingguite
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_last               53
_journal_volume                  47
_journal_year                    2020
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi5 O16 Te'
_chemical_name_mineral           Pingguite
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.61155
_cell_length_b                   22.74458
_cell_length_c                   5.399038
_cell_formula_units_Z            8
_cell_volume                     1303.086
_database_code_amcsd             0020926
_exptl_crystal_density_diffrn    7.281
_cod_data_source_file            inputs/fixed/downloads/10/10506.cif
_cod_data_source_block           10506
_cod_original_formula_sum        'Bi5 Te O16'
_cod_database_code               9017287
The structure of orthoclase
Jones, J. B.; Taylor, W. H.; Acta Crystallographica 14 (1961) 443–456; doi:

data_9017288
_publ_section_title
;
 The structure of orthoclase
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              443
_journal_page_last               456
_journal_volume                  14
_journal_year                    1961
_chemical_compound_source        'Mogok, Upper Burma'
_chemical_formula_sum            'Al0.98 K O8 Si3.02'
_chemical_name_mineral           Orthoclase
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.015
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.5616
_cell_length_b                   12.9962
_cell_length_c                   7.1934
_cell_volume                     719.300
_database_code_amcsd             0020547
_exptl_crystal_density_diffrn    2.570
_cod_data_source_file            inputs/fixed/downloads/10/10643.cif
_cod_data_source_block           10643
_cod_original_formula_sum        'K (Si3.02 Al.98) O8'
_cod_database_code               9017288
Zur kristallchemie der salzhydrate. Die kristallstrukturen von MgSO4*4H2O (leonhardtit) und FeSO4*4H2O (rozenit)
Baur, W. H.; Acta Crystallographica 15 (1962) 815–826; doi:

data_9017289
_publ_section_title
;
 Zur kristallchemie der salzhydrate. Die kristallstrukturen von MgSO4*4H2O
 (leonhardtit) und FeSO4*4H2O (rozenit)
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              815
_journal_page_last               826
_journal_volume                  15
_journal_year                    1962
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe H8 O8 S'
_chemical_name_mineral           Rozenite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.43
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.979
_cell_length_b                   13.648
_cell_length_c                   7.977
_cell_volume                     650.916
_database_code_amcsd             0009276
_exptl_crystal_density_diffrn    2.285
_cod_data_source_file            inputs/fixed/downloads/10/10672.cif
_cod_data_source_block           10672
_cod_original_formula_sum        'Fe S O8 H8'
_cod_database_code               9017289
_cod_duplicate_entry 9007473
A refinement of the crystal structure of sanidinised orthoclase Note: Occupancies not provided, estimated using Kroll & Ribbe, 1983
Ribbe, P. H.; Acta Crystallographica 16 (1963) 426–427; doi:

data_9017290
_publ_section_title
;
 A refinement of the crystal structure of sanidinised orthoclase
 Note: Occupancies not provided, estimated using Kroll & Ribbe, 1983
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              426
_journal_page_last               427
_journal_volume                  16
_journal_year                    1963
_chemical_compound_source        Unknown
_chemical_formula_sum            'Al K O8 Si3'
_chemical_name_mineral           Sanidine
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.98
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.48
_cell_length_b                   12.97
_cell_length_c                   7.18
_cell_volume                     709.895
_database_code_amcsd             0020563
_exptl_crystal_density_diffrn    2.604
_cod_data_source_file            inputs/fixed/downloads/10/10678.cif
_cod_data_source_block           10678
_cod_original_formula_sum        'K (Si3 Al) O8'
_cod_database_code               9017290
The crystal structure of Tutton's salts. II. Magnesium ammonium sulfate hexahydrate and nickel ammonium sulfate hexahydrate
Montgomery, H.; Lingafelter, E. C.; Acta Crystallographica 17 (1964) 1478–1479; doi:

data_9017291
_publ_section_title
;
 The crystal structure of Tutton's salts. II.
 Magnesium ammonium sulfate hexahydrate and nickel ammonium sulfate hexahydrate
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              1478
_journal_page_last               1479
_journal_volume                  17
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H20 N2 Ni O14 S2'
_chemical_name_mineral           Nickelboussingaultite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.97
_cell_angle_gamma                90
_cell_length_a                   9.241
_cell_length_b                   12.554
_cell_length_c                   6.243
_cell_formula_units_Z            2
_cell_volume                     692.724
_database_code_amcsd             0020239
_exptl_crystal_density_diffrn    1.894
_cod_data_source_file            inputs/fixed/downloads/10/10699.cif
_cod_data_source_block           10699
_cod_original_formula_sum        'N2 H20 Ni S2 O14'
_cod_database_code               9017291
The crystal structure of Tutton's salts. II. Magnesium ammonium sulfate hexahydrate and nickel ammonium sulfate hexahydrate
Montgomery, H.; Lingafelter, E. C.; Acta Crystallographica 17 (1964) 1478–1479; doi:

data_9017292
_publ_section_title
;
 The crystal structure of Tutton's salts. II.
 Magnesium ammonium sulfate hexahydrate and nickel ammonium sulfate hexahydrate
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              1478
_journal_page_last               1479
_journal_volume                  17
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H20 Mg N2 O14 S2'
_chemical_name_mineral           Boussingaultite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.05
_cell_angle_gamma                90
_cell_length_a                   9.383
_cell_length_b                   12.669
_cell_length_c                   6.220
_cell_formula_units_Z            2
_cell_volume                     706.895
_database_code_amcsd             0020241
_exptl_crystal_density_diffrn    1.694
_cod_data_source_file            inputs/fixed/downloads/10/10700.cif
_cod_data_source_block           10700
_cod_original_formula_sum        'N2 H20 Mg S2 O14'
_cod_database_code               9017292
The crystal structure at 220 C of orthothombic high tridymite from the Steinbach meteorite Note: T = 220 C
Dollase, W. A.; Acta Crystallographica 23 (1967) 617–623; doi:

data_9017293
_publ_section_title
;
 The crystal structure at 220 C of orthothombic high tridymite
 from the Steinbach meteorite
 Note: T = 220 C
;
_journal_name_full               'Acta Crystallographica'
_journal_page_first              617
_journal_page_last               623
_journal_volume                  23
_journal_year                    1967
_chemical_compound_source        'Steinbach meteorite'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Tridymite
_space_group_IT_number           20
_space_group_name_Hall           'C 2c 2 (x,y,z-1/4)'
_space_group_name_H-M_alt        'C 2 2 21 (a,b,c+1/4)'
_symmetry_space_group_name_H-M   'C 2 2 21 (a,b,c+1/4)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.74
_cell_length_b                   5.04
_cell_length_c                   8.24
_cell_formula_units_Z            8
_cell_volume                     362.969
_database_code_amcsd             0020733
_diffrn_ambient_temperature      493.15
_exptl_crystal_density_diffrn    2.199
_cod_data_source_file            inputs/fixed/downloads/10/10734.cif
_cod_data_source_block           10734
_cod_original_sg_symbol_H-M      'C 2 2 21'
_cod_original_formula_sum        'Si O2'
_cod_database_code               9017293
The crystal structure of struvite, MgNH4PO4*6H2O
Whitaker, A.; Jeffery, J. W.; Acta Crystallographica, Section B 26 (1970) 1429–1440; doi:

data_9017294
_publ_section_title
;
 The crystal structure of struvite, MgNH4PO4*6H2O
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1429
_journal_page_last               1440
_journal_volume                  26
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H16 Mg N O10 P'
_chemical_name_mineral           Struvite
_space_group_IT_number           31
_space_group_name_Hall           'P 2ac -2'
_space_group_name_H-M_alt        'P m n 21'
_symmetry_space_group_name_H-M   'P m n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.941
_cell_length_b                   6.137
_cell_length_c                   11.199
_cell_volume                     477.043
_database_code_amcsd             0020109
_exptl_crystal_density_diffrn    1.708
_cod_data_source_file            inputs/fixed/downloads/10/10807.cif
_cod_data_source_block           10807
_cod_original_formula_sum        'Mg P O10 N H16'
_cod_database_code               9017294
Crystal structure of calcium chloride tetrahydrate
Thewalt, U.; Bugg, C. E.; Acta Crystallographica, Section B 29 (1973) 615–617; doi:

data_9017295
_publ_section_title
;
 Crystal structure of calcium chloride tetrahydrate
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              615
_journal_page_last               617
_journal_volume                  29
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca Cl2 O4'
_chemical_name_mineral           Ghiaraite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.77
_cell_angle_beta                 93.52
_cell_angle_gamma                110.56
_cell_length_a                   6.593
_cell_length_b                   6.364
_cell_length_c                   8.557
_cell_formula_units_Z            2
_cell_volume                     330.776
_database_code_amcsd             0020228
_exptl_crystal_density_diffrn    1.757
_cod_data_source_file            inputs/fixed/downloads/10/10914.cif
_cod_data_source_block           10914
_cod_database_code               9017295
Structure cristalline de VOSO4((H2O)3 Note: polymorph of bobjonesite
Theobald, F.; Galy, J.; Acta Crystallographica, Section B 29 (1973) 2732–2736; doi:

data_9017296
_publ_section_title
;
 Structure cristalline de VOSO4((H2O)3
 Note: polymorph of bobjonesite
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2732
_journal_page_last               2736
_journal_volume                  29
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H6 O8 S V'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.9
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.411
_cell_length_b                   7.439
_cell_length_c                   12.272
_cell_volume                     640.084
_database_code_amcsd             0009497
_exptl_crystal_density_diffrn    2.252
_cod_data_source_file            inputs/fixed/downloads/10/10939.cif
_cod_data_source_block           10939
_cod_original_formula_sum        'V S O8 H6'
_cod_database_code               9017296
_amcsd_formula_title             VOSO4(H2O)3
Anhydrite: a refinement
Morikawa, H.; Tomita, T.; Minato, I.; Iwai, S.; Acta Crystallographica, Section B 31 (1975) 2164–2165; doi:

data_9017297
_publ_section_title
;
 Anhydrite: a refinement
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2164
_journal_page_last               2165
_journal_volume                  31
_journal_year                    1975
_chemical_compound_source        'Berchtesgaden, Germany'
_chemical_formula_sum            'Ca O4 S'
_chemical_name_mineral           Anhydrite
_space_group_IT_number           63
_space_group_name_Hall           '-B 2b 2'
_space_group_name_H-M_alt        'B m m b'
_symmetry_space_group_name_H-M   'B m m b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.992
_cell_length_b                   6.999
_cell_length_c                   6.240
_cell_formula_units_Z            4
_cell_volume                     305.367
_database_code_amcsd             0020852
_exptl_crystal_density_diffrn    2.961
_cod_data_source_file            inputs/fixed/downloads/10/10996.cif
_cod_data_source_block           10996
_cod_original_formula_sum        'Ca S O4'
_cod_database_code               9017297
Die kristallstruktur des monoklinen tief-tridymits
Kato, V. K.; Nukui, A.; Acta Crystallographica, Section B 32 (1976) 2486–2491; doi:

data_9017298
_publ_section_title
;
 Die kristallstruktur des monoklinen tief-tridymits
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2486
_journal_page_last               2491
_journal_volume                  32
_journal_year                    1976
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Tridymite
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.75
_cell_angle_gamma                90
_cell_length_a                   18.494
_cell_length_b                   4.991
_cell_length_c                   25.832
_cell_formula_units_Z            48
_cell_volume                     2110.152
_database_code_amcsd             0020734
_exptl_crystal_density_diffrn    2.270
_cod_data_source_file            inputs/fixed/downloads/11/11038.cif
_cod_data_source_block           11038
_cod_original_formula_sum        'Si O2'
_cod_database_code               9017298
The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample P17C
Dal Negro, A.; De Pieri, R.; Quareni, S.; Acta Crystallographica, Section B 34 (1978) 2699–2707; doi:

data_9017299
_publ_section_title
;
 The crystal structures of nine K feldspars from the Adamello
 Massif (Northern Italy)
 Note: Sample P17C
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2699
_journal_page_last               2707
_journal_volume                  34
_journal_year                    1978
_chemical_compound_source        'Adamello Massif, Northern Italy'
_chemical_formula_sum            'Al0.94 K0.871 Na0.12 O8 Rb0.008 Si3.06'
_chemical_name_mineral           Microcline
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90.07
_cell_angle_beta                 116.03
_cell_angle_gamma                89.75
_cell_length_a                   8.567
_cell_length_b                   12.980
_cell_length_c                   7.200
_cell_formula_units_Z            4
_cell_volume                     719.417
_database_code_amcsd             0020534
_exptl_crystal_density_diffrn    2.556
_cod_data_source_file            inputs/fixed/downloads/11/11137.cif
_cod_data_source_block           11137
_cod_original_formula_sum        'K.871 Na.12 Rb.008 (Al.94 Si3.06) O8'
_cod_database_code               9017299
The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample A1D
Dal Negro, A.; De Pieri, R.; Quareni, S.; Acta Crystallographica, Section B 34 (1978) 2699–2707; doi:

data_9017300
_publ_section_title
;
 The crystal structures of nine K feldspars from the Adamello
 Massif (Northern Italy)
 Note: Sample A1D
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2699
_journal_page_last               2707
_journal_volume                  34
_journal_year                    1978
_chemical_compound_source        'Adamello Massif, Northern Italy'
_chemical_formula_sum
'Al0.95 Ba0.006 Ca0.005 K0.904 Na0.085 O8 Si3.05'
_chemical_name_mineral           Microcline
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90.13
_cell_angle_beta                 116.02
_cell_angle_gamma                89.53
_cell_length_a                   8.564
_cell_length_b                   12.984
_cell_formula_units_Z            4
_cell_length_c                   7.201
_cell_volume                     719.530
_database_code_amcsd             0020535
_exptl_crystal_density_diffrn    2.563
_cod_data_source_file            inputs/fixed/downloads/11/11138.cif
_cod_data_source_block           11138
_cod_original_formula_sum
'(K.904 Na.085 Ca.005 Ba.006) (Al.95 Si3.05) O8'
_cod_database_code               9017300
The crystal structures of nine K feldspars from the Adamello Massif (Northern Italy) Note: Sample CA1B
Dal Negro, A.; De Pieri, R.; Quareni, S.; Acta Crystallographica, Section B 34 (1978) 2699–2707; doi:

data_9017301
_publ_section_title
;
 The crystal structures of nine K feldspars from the Adamello
 Massif (Northern Italy)
 Note: Sample CA1B
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2699
_journal_page_last               2707
_journal_volume                  34
_journal_year                    1978
_chemical_compound_source        'Adamello Massif, Northern Italy'
_chemical_formula_sum            'Al0.99 K0.94 Na0.06 O8 Si3.01'
_chemical_name_mineral           Microcline
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90.28
_cell_angle_beta                 116.03
_cell_angle_gamma                89.03
_cell_length_a                   8.560
_cell_length_b                   12.984
_cell_length_c                   7.209
_cell_formula_units_Z            4
_cell_volume                     719.851
_database_code_amcsd             0020536
_exptl_crystal_density_diffrn    2.559
_cod_data_source_file            inputs/fixed/downloads/11/11139.cif
_cod_data_source_block           11139
_cod_original_formula_sum        'K.94 Na.06 (Al.99 Si3.01) O8'
_cod_database_code               9017301