LMucko/crystallography-open-database huggingface dataset:
Etude comparative des structures Mx W O3 de type bronze hexagonal. II. Evolution structurale dans la serie des bronzes Inx W O3 (x equals a number between 0.12 and 0.33)
Labbe, P. H.; Goreaud, M.; Raveau, B.; Monier, J. C.; Acta Crystallographica, Section B 35 (1979) 1557–1564; doi:10.1107/S0567740879007123

data_9015241
_publ_section_title
;
 Etude comparative des structures Mx W O3 de type bronze hexagonal.
 II. Evolution structurale dans la serie des bronzes Inx W O3
 (x equals a number between 0.12 and 0.33)
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1557
_journal_page_last               1564
_journal_paper_doi               10.1107/S0567740879007123
_journal_volume                  35
_journal_year                    1979
_chemical_formula_sum            'In0.744 O9 W3'
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.3837
_cell_length_b                   7.3837
_cell_length_c                   7.5012
_cell_formula_units_Z            2
_cell_volume                     354.168
_database_code_amcsd             0009679
_exptl_crystal_density_diffrn    7.323
_cod_duplicate_entry             1001043
_cod_original_formula_sum        'W3 O9 In.744'
_cod_database_code               9015241
_amcsd_formula_title             'In0.24 O3 W'
Kottenheimite, Ca3Si(OH)6(SO4)2*12H2O, a new member of the ettringite group from the Eifel area, Germany Rhineland-Palatinate, Germany
Chukanov, N. V.; Britvin, S. N.; Van, K. V.; Mockel, S.; Zadov, A. E.; The Canadian Mineralogist 50 (2012) 55–63; doi:10.3749/canmin.50.1.55

data_9015242
_publ_section_title
;
 Kottenheimite, Ca3Si(OH)6(SO4)2*12H2O, a new member of the ettringite group
 from the Eifel area, Germany
 Rhineland-Palatinate, Germany
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              55
_journal_page_last               63
_journal_paper_doi               10.3749/canmin.50.1.55
_journal_volume                  50
_journal_year                    2012
_chemical_compound_source
'Bellerberg, near Kottenheim, Eastern Eifel area,'
_chemical_formula_sum            'Ca3 H30 O25.66 S1.82 Si'
_chemical_name_mineral           Kottenheimite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   11.1548
_cell_length_b                   11.1548
_cell_length_c                   10.5702
_cell_volume                     1139.036
_database_code_amcsd             0019043
_exptl_crystal_density_diffrn    1.888
_cod_original_formula_sum        'Ca3 Si S1.82 O25.66 H30'
_cod_database_code               9015242
Structure cristalline du trimetaphosphate de baryum-argent tetrahydrate. Ba Ag P3 O9 (H2 O)4
Seethanen, D.; Durif, A.; Guitel, J. C.; Acta Crystallographica, Section B 33 (1977) 2716–2719; doi:10.1107/S0567740877009364

data_9015243
_publ_section_title
;
 Structure cristalline du trimetaphosphate de baryum-argent
 tetrahydrate. Ba Ag P3 O9 (H2 O)4
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2716
_journal_page_last               2719
_journal_paper_doi               10.1107/S0567740877009364
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'Ag Ba O13 P3'
_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                 121.72
_cell_angle_gamma                90
_cell_length_a                   21.35
_cell_length_b                   7.163
_cell_length_c                   18.35
_cell_formula_units_Z            8
_cell_volume                     2387.088
_database_code_amcsd             0009600
_exptl_crystal_density_diffrn    3.039
_cod_duplicate_entry             1007014
_cod_original_formula_sum        'Ba Ag P3 O13'
_cod_database_code               9015243
_amcsd_formula_title             'Ag Ba H8 O13 P3'
Neutron diffraction investigations of the magnetic ordering in FeBr2, CoBr2, FeCl2, and CoCl2
Wilkinson, M. K.; Cable, J. W.; Wollan, E. O.; Koehler, W. C.; Physical Review 113 (1959) 497–507; doi:10.1103/PhysRev.113.497

data_9015244
_publ_section_title
;
 Neutron diffraction investigations of the magnetic ordering in FeBr2,
 CoBr2, FeCl2, and CoCl2
;
_journal_name_full               'Physical Review'
_journal_page_first              497
_journal_page_last               507
_journal_paper_doi               10.1103/PhysRev.113.497
_journal_volume                  113
_journal_year                    1959
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cl2 Fe'
_chemical_name_mineral           Lawrencite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.603
_cell_length_b                   3.603
_cell_length_c                   17.536
_cell_formula_units_Z            3
_cell_volume                     197.147
_database_code_amcsd             0018640
_exptl_crystal_density_diffrn    3.203
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Fe Cl2'
_cod_database_code               9015244
Li-bearing tourmalines in Variscan granitic pegmatites from the Moldanubian nappes, Lower Austria Note: Sample TK12
Ertl, A.; Schuster, R.; Hughes, J. M.; Ludwig, T.; Meyer, H.-P.; Finger, F.; Dyar, M. D.; Ruschel, K.; Rossman, G. R.; Klotzli, U.; Brandstatter, F.; Lengauer, C. L.; Tillmanns, E.; European Journal of Mineralogy 24 (2012) 695–715; doi:10.1127/0935-1221/2012/0024-2203

data_9015245
_publ_section_title
;
 Li-bearing tourmalines in Variscan granitic pegmatites
 from the Moldanubian nappes, Lower Austria
 Note: Sample TK12
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              695
_journal_page_last               715
_journal_paper_doi               10.1127/0935-1221/2012/0024-2203
_journal_volume                  24
_journal_year                    2012
_chemical_compound_source        'Konigsalm, Moldanubian nappes, Lower Austria'
_chemical_formula_sum
'Al6.591 B3.018 Ca0.05 F0.58 Fe1.896 H3.18 K0.01 Li0.069 Mg0.228 Mn0.288 Na0.76 O30.42 Si5.772 Ti0.12 Zn0.009'
_chemical_name_mineral           Fluor-schorl
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   15.987
_cell_length_b                   15.987
_cell_length_c                   7.163
_cell_volume                     1585.475
_database_code_amcsd             0019398
_exptl_crystal_density_diffrn    3.228
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.76 Ca.05 K.01 Fe1.896 Al6.591 Mn.288 Ti.12 Li.069 Zn.009 Mg.228 Si5.772 B3.018 F.58 O30.42 H3.18'
_cod_database_code               9015245
In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study Note: T = 350 C
Danisi, R. M.; Armbruster, T.; Lazic, B.; American Mineralogist 97 (2012) 1874–1880; doi:10.2138/am.2012.4228

data_9015246
_publ_section_title
;
 In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study
 Note: T = 350 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1874
_journal_page_last               1880
_journal_paper_doi               10.2138/am.2012.4228
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Wagholi quarry, Poona district, India'
_chemical_formula_sum            'Ca O12.18 Si4 V'
_chemical_name_mineral           Cavansite
_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_length_a                   9.39
_cell_length_b                   13.11
_cell_length_c                   9.39
_cell_formula_units_Z            4
_cell_volume                     1155.936
_database_code_amcsd             0019721
_exptl_crystal_density_diffrn    2.288
_cod_original_formula_sum        'V Ca Si4 O12.18'
_cod_database_code               9015246
Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: at room T after heating to T = 736 K, split Si model
Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.; American Mineralogist 97 (2012) 573–582; doi:10.2138/am.2012.4010

data_9015247
_publ_section_title
;
 Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O
 Note: at room T after heating to T = 736 K, split Si model
;
_journal_name_full               'American Mineralogist'
_journal_page_first              573
_journal_page_last               582
_journal_paper_doi               10.2138/am.2012.4010
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg1.8 O4 Si0.97'
_chemical_name_mineral           Ringwoodite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.1115
_cell_length_b                   8.1115
_cell_length_c                   8.1115
_cell_formula_units_Z            8
_cell_volume                     533.708
_database_code_amcsd             0018842
_exptl_crystal_density_diffrn    3.360
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Mg1.8 Si.97 O4'
_cod_database_code               9015247
Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada, and its structural relationship with whitlockite-type compounds
Tait, K. T.; Barkley, M. C.; Thompson, R. M.; Origlieri, M. J.; Evans, S. H.; Prewitt, C. T.; Yang, H.; The Canadian Mineralogist 49 (2011) 1065–1078; doi:10.3749/canmin.49.4.1065

data_9015248
_publ_section_title
;
 Bobdownsite, a new mineral species from Big Fish River, Yukon, Canada,
 and its structural relationship with whitlockite-type compounds
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1065
_journal_page_last               1078
_journal_paper_doi               10.3749/canmin.49.4.1065
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        'Palermo #1 quarry, New Hampshire, USA'
_chemical_formula_sum            'Al0.02 Ca9 Fe0.35 H Mg0.62 Mn0.02 O28 P7'
_chemical_name_mineral           Whitlockite
_space_group_IT_number           161
_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_formula_units_Z            6
_cell_length_a                   10.3590
_cell_length_b                   10.3590
_cell_length_c                   37.0857
_cell_volume                     3446.456
_database_code_amcsd             0018920
_exptl_crystal_density_diffrn    3.072
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum        'Ca9 Mg.62 Fe.35 Mn.02 Al.02 P7 O28 H'
_cod_database_code               9015248
A mixed valent Keggin polyoxometallate involving molybdenum and tungsten _cod_database_code 1001695
Leclaire, A.; Borel, M.; Chardon, J.; Raveau, B.; Materials Research Bulletin 30 (1995) 1075–1080; doi:10.1016/0025-5408(95)00103-4

data_9015249
_publ_section_title
;
 A mixed valent Keggin polyoxometallate involving molybdenum and tungsten
 _cod_database_code 1001695
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1075
_journal_page_last               1080
_journal_paper_doi               10.1016/0025-5408(95)00103-4
_journal_volume                  30
_journal_year                    1995
_chemical_formula_sum            'K6 Mo3 O49 P W9'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   21.381
_cell_length_b                   21.381
_cell_length_c                   21.381
_cell_formula_units_Z            8
_cell_volume                     9774.263
_database_code_amcsd             0014373
_exptl_crystal_density_diffrn    4.066
_cod_duplicate_entry             1001695
_cod_original_cell_volume        9774.265
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        '(W9 Mo3) P K6 O49'
_cod_database_code               9015249
_amcsd_formula_title             'H26 K6 Mo3 O53 P W9'
The structure of tremolite H2 Ca2 Mg5 (Si O3)8 _cod_database_code 1011222
Warren, B.; Zeitschrift fur Kristallographie 72 (1929) 42–57; doi:

data_9015250
_publ_section_title
;
 The structure of tremolite H2 Ca2 Mg5 (Si O3)8
 _cod_database_code 1011222
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              42
_journal_page_last               57
_journal_volume                  72
_journal_year                    1929
_chemical_formula_sum            'Ca2 Mg5 O24 Si8'
_chemical_name_mineral           Tremolite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 73.97
_cell_angle_gamma                90
_cell_length_a                   9.77
_cell_length_b                   17.79999
_cell_length_c                   5.26
_cell_formula_units_Z            2
_cell_volume                     879.177
_database_code_amcsd             0018086
_exptl_crystal_density_diffrn    3.061
_cod_duplicate_entry             1011222
_cod_original_formula_sum        'O24 Ca2 Mg5 Si8'
_cod_database_code               9015250
Plumboselite, Pb3O2(SeO3), a new oxidation-zone mineral from Tsumeb, Namibia
Kampf, A. R.; Mills, S. J.; Pinch, W. W.; Mineralogy and Petrology 101 (2011) 75–80; doi:10.1007/s00710-010-0137-3

data_9015251
_publ_section_title
;
 Plumboselite, Pb3O2(SeO3), a new oxidation-zone mineral from Tsumeb, Namibia
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              75
_journal_page_last               80
_journal_paper_doi               10.1007/s00710-010-0137-3
_journal_volume                  101
_journal_year                    2011
_chemical_compound_source        'Tsumeb, Namibia'
_chemical_formula_sum            'O5 Pb3 Se'
_chemical_name_mineral           Plumboselite
_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                   10.5384
_cell_length_b                   10.7452
_cell_length_c                   5.7577
_cell_formula_units_Z            4
_cell_volume                     651.986
_database_code_amcsd             0018379
_exptl_crystal_density_diffrn    7.952
_cod_original_formula_sum        'Pb3 Se O5'
_cod_database_code               9015251
Die Struktur von Magnesiumchlorid- und Magnesiumbromidhexahydrat. _cod_database_code 1010257
Andress, K.; Gundermann, J.; Zeitschrift fur Kristallographie 87 (1934) 345–369; doi:

data_9015252
_publ_section_title
;
 Die Struktur von Magnesiumchlorid- und Magnesiumbromidhexahydrat.
 _cod_database_code 1010257
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              345
_journal_page_last               369
_journal_volume                  87
_journal_year                    1934
_chemical_formula_sum            'Br2 Mg O6'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.50
_cell_angle_gamma                90
_cell_length_a                   10.25
_cell_length_b                   7.40
_cell_length_c                   6.30
_cell_formula_units_Z            2
_cell_volume                     476.964
_database_code_amcsd             0017184
_exptl_crystal_density_diffrn    1.950
_cod_duplicate_entry             1010257
_cod_original_formula_sum        'Mg Br2 O6'
_cod_database_code               9015252
_amcsd_formula_title             'Br2 H12 Mg O6'
From structure topology to chemical composition. XII. Titanium silicates: the crystal chemistry of rinkite, Na2Ca4REETi(Si2O7)2OF3 Note: sample 1991c
Camara, F.; Sokolova, E.; Hawthorne, F. C.; Mineralogical Magazine 75 (2011) 2755–2774; doi:10.1180/minmag.2011.075.6.2755

data_9015253
_publ_section_title
;
 From structure topology to chemical composition. XII. Titanium silicates:
 the crystal chemistry of rinkite, Na2Ca4REETi(Si2O7)2OF3
 Note: sample 1991c
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              2755
_journal_page_last               2774
_journal_paper_doi               10.1180/minmag.2011.075.6.2755
_journal_volume                  75
_journal_year                    2011
_chemical_compound_source        'Kangerdluarssuk, Ilimaussaq, Greenland'
_chemical_formula_sum
'Ca3.48 Ce0.5 F2.6 La0.18 Na2.28 Nb0.33 Nd0.24 O15.4 Pr0.06 Si4 Sm0.04 Ti0.64 Y0.1 Zr0.03'
_chemical_name_mineral           Rinkite
_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                 101.353
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.4328
_cell_length_b                   5.6595
_cell_length_c                   18.8181
_cell_volume                     776.112
_database_code_amcsd             0018562
_exptl_crystal_density_diffrn    3.496
_cod_original_formula_sum
'Ca3.48 Sm.04 Nd.24 Pr.06 Ce.5 La.18 Y.1 (Ti.64 Nb.33 Zr.03) Na2.28 Si4 O15.4 F2.6'
_cod_database_code               9015253
Structural study of hyperstoichiometric alloys ZrMn2+x and their hydrides _cod_database_code 1008564
Pontonnier, L.; Miraglia, S.; Fruchart, D.; Soubeyroux, J.; Baudry, A.; Boyer, P.; Journal of Alloys and Compounds 186 (1992) 241–248; doi:

data_9015254
_publ_section_title
;
 Structural study of hyperstoichiometric alloys ZrMn2+x and their hydrides
 _cod_database_code 1008564
;
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              241
_journal_page_last               248
_journal_volume                  186
_journal_year                    1992
_chemical_formula_sum            'D2.333 Mn2.15 Zr0.85'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.3889
_cell_length_b                   5.3889
_cell_length_c                   8.7660
_cell_formula_units_Z            4
_cell_volume                     220.461
_database_code_amcsd             0016455
_exptl_crystal_density_diffrn    6.036
_cod_duplicate_entry             1008564
_cod_original_formula_sum        'Zr.85 Mn2.15 D2.333'
_cod_database_code               9015254
_amcsd_formula_title             'D2.332 Mn2.15 Zr0.85'
Crystal structures of dieuropium(II) ditantalum heptoxide, Eu2Ta2O7 and europium(II) ditantalum hexoxide, EuTa2O6
Jacobsen, H.; Lissner, F.; Manek, E.; Meyer, G.; Zeitschrift fur Kristallographie 211 (1996) 547–548; doi:

data_9015255
_publ_section_title
;
 Crystal structures of dieuropium(II) ditantalum heptoxide,
 Eu2Ta2O7 and europium(II) ditantalum hexoxide, EuTa2O6
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              547
_journal_page_last               548
_journal_volume                  211
_journal_year                    1996
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Eu2 O7 Ta2'
_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                   3.9542
_cell_length_b                   27.142
_cell_length_c                   5.692
_cell_formula_units_Z            4
_cell_volume                     610.893
_database_code_amcsd             0018932
_exptl_crystal_density_diffrn    8.457
_cod_original_formula_sum        'Eu2 Ta2 O7'
_cod_database_code               9015255
_amcsd_formula_title             Eu2Ta2O7
Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl05b
Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U.; American Mineralogist 97 (2012) 1821–1827; doi:10.2138/am.2012.4177

data_9015256
_publ_section_title
;
 Cation ordering over short-range and long-range scales
 in the MgAl2O4-CuAl2O4 series
 Sample: CuAl05b
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1821
_journal_page_last               1827
_journal_paper_doi               10.2138/am.2012.4177
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2.01 Cu0.01 Mg0.99 O4'
_chemical_name_mineral           Spinel
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.0853
_cell_length_b                   8.0853
_cell_length_c                   8.0853
_cell_formula_units_Z            8
_cell_volume                     528.553
_database_code_amcsd             0019563
_exptl_crystal_density_diffrn    3.592
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Cu.01 (Mg.99 Al2.01) O4'
_cod_database_code               9015256