LMucko/crystallography-open-database huggingface dataset:
Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle _cod_database_code 1010908
Teichert, W.; Klemm, W.; Zeitschrift fur Anorganische und Allgemeine Chemie 243 (1939) 86–98; doi:

data_9015708
_publ_section_title
;
 Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle
 _cod_database_code 1010908
;
_journal_name_full
'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_page_first              86
_journal_page_last               98
_journal_volume                  243
_journal_year                    1939
_chemical_formula_sum            'K Se'
_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                   6.87
_cell_length_b                   6.87
_cell_length_c                   6.87
_cell_formula_units_Z            4
_cell_volume                     324.243
_database_code_amcsd             0017636
_exptl_crystal_density_diffrn    2.418
_cod_duplicate_entry             1010908
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9015708
_amcsd_formula_title             'H K Se'
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 22,620 min
Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.; European Journal of Mineralogy 24 (2012) 633–643; doi:10.1127/0935-1221/2012/0024-2223

data_9015709
_publ_section_title
;
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 22,620 min
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              633
_journal_page_last               643
_journal_paper_doi               10.1127/0935-1221/2012/0024-2223
_journal_volume                  24
_journal_year                    2012
_chemical_formula_sum            'Al1.46 Fe0.539 Mg1.001 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                   8.1693
_cell_length_b                   8.1693
_cell_length_c                   8.1693
_cell_formula_units_Z            8
_cell_volume                     545.198
_database_code_amcsd             0019317
_exptl_crystal_density_diffrn    3.845
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Al1.46 Mg1.001 Fe.539) O4'
_cod_database_code               9015709
X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis Sample: q=0.5, run 21
Nagashima, M.; Akasada, M.; American Mineralogist 95 (2010) 1237–1246; doi:10.2138/am.2010.3418

data_9015710
_publ_section_title
;
 X-ray Rietveld and 57Fe Mossbauer studies of epidote and piemontite on the join
 Ca2Al2FeSi3O12(OH) - Ca2Al2MnSi3O12(OH) formed by hydrothermal synthesis
 Sample: q=0.5, run 21
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1237
_journal_page_last               1246
_journal_paper_doi               10.2138/am.2010.3418
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2.08 Ca2 Fe0.39 H Mn0.53 O13 Si3'
_chemical_name_mineral           Epidote
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.455
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.8904
_cell_length_b                   5.6606
_cell_length_c                   10.1760
_cell_volume                     462.393
_database_code_amcsd             0016952
_exptl_crystal_density_diffrn    3.451
_cod_original_formula_sum        'Ca2 Al2.08 Fe.39 Mn.53 Si3 O13 H'
_cod_database_code               9015710
Crystal-structure properties and the molecular nature of hydrostatically compressed realgar Note: P = 0 GPa
Hejny, C.; Sagl, R.; Tobbens, D. M.; Miletich, R.; Wildner, M.; Nasdala, L.; Ullrich, A.; Balic-Zunic T; Physics and Chemistry of Minerals 39 (2012) 399–412; doi:10.1007/s00269-012-0495-y

data_9015711
_publ_section_title
;
 Crystal-structure properties and the molecular nature of
 hydrostatically compressed realgar
 Note: P = 0 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              399
_journal_page_last               412
_journal_paper_doi               10.1007/s00269-012-0495-y
_journal_volume                  39
_journal_year                    2012
_chemical_compound_source        'Baia Sprie mine, Romania'
_chemical_formula_sum            'As S'
_chemical_name_mineral           Realgar
_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                 106.433
_cell_angle_gamma                90
_cell_length_a                   9.3272
_cell_length_b                   13.5660
_cell_length_c                   6.5903
_cell_formula_units_Z            16
_cell_volume                     799.826
_database_code_amcsd             0019366
_exptl_crystal_density_diffrn    3.554
_cod_database_code               9015711
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L25, disordered model
Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.; The Canadian Mineralogist 49 (2011) 63–88; doi:10.3749/canmin.49.1.63

data_9015712
_publ_section_title
;
 Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar.
 I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy
 Sample: L25, disordered model
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              63
_journal_page_last               88
_journal_paper_doi               10.3749/canmin.49.1.63
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        'Anjanabonoina, central Madagascar'
_chemical_formula_sum
'Al7.14 B3 Ca0.61 F0.633 Fe0.12 H3.336 Li1.614 Mg0.057 Mn0.06 Na0.322 O30.336 Pb0.007 Si6 Ti0.006'
_chemical_name_mineral           Fluor-liddicoatite
_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_length_a                   15.8438
_cell_length_b                   15.8438
_cell_length_c                   7.1043
_cell_formula_units_Z            3
_cell_volume                     1544.439
_database_code_amcsd             0018445
_exptl_crystal_density_diffrn    3.066
_cod_original_cell_volume        1544.438
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Ca.61 Na.322 Pb.007 Ti.006 Al7.14 Fe.12 Mg.057 Mn.06 Li1.614 Si6 B3 F.633 O30.336 H3.336'
_cod_database_code               9015712
Etude par diffraction de neutrons a 4.2 K de la structure antiferromagnetique de Cl2Fe Note: T = 4.2 K
Herpin, A.; Meriel, P.; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 245 (1957) 650–653; doi:

data_9015713
_publ_section_title
;
 Etude par diffraction de neutrons a 4.2 K de la structure antiferromagnetique de Cl2Fe
 Note: T = 4.2 K
;
_journal_name_full
'Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences'
_journal_page_first              650
_journal_page_last               653
_journal_volume                  245
_journal_year                    1957
_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                   3.58
_cell_length_b                   3.58
_cell_length_c                   17.54
_cell_formula_units_Z            3
_cell_volume                     194.682
_database_code_amcsd             0018471
_exptl_crystal_density_diffrn    3.243
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Fe Cl2'
_cod_database_code               9015713
A crystallographic contribution to the mechanism of a mechanically induced solid state reaction Note: milling time = 36 min
Calos, N. J.; Forrester, J. S.; Schaffer, G. B.; Journal of Solid State Chemistry 122 (1996) 273–280; doi:10.1006/jssc.1996.0113

data_9015714
_publ_section_title
;
 A crystallographic contribution to the mechanism of a mechanically
 induced solid state reaction
 Note: milling time = 36 min
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              273
_journal_page_last               280
_journal_paper_doi               10.1006/jssc.1996.0113
_journal_volume                  122
_journal_year                    1996
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu O'
_chemical_name_mineral           Tenorite
_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                 98.5981
_cell_angle_gamma                90
_cell_length_a                   4.6791
_cell_length_b                   3.4805
_cell_length_c                   5.1183
_cell_formula_units_Z            4
_cell_volume                     82.418
_database_code_amcsd             0018819
_exptl_crystal_density_diffrn    6.411
_cod_database_code               9015714
Crystal structure of dense nanocrystalline BaTiO3 ceramics Note: phase O (orthorhombic)
Xiao, C. J.; Jin, C. Q.; Wang, X. H.; Materials Chemistry and Physics 111 (2008) 209–212; doi:10.1016/j.matchemphys.2008.01.020

data_9015715
_publ_section_title
;
 Crystal structure of dense nanocrystalline BaTiO3 ceramics
 Note: phase O (orthorhombic)
;
_journal_name_full               'Materials Chemistry and Physics'
_journal_page_first              209
_journal_page_last               212
_journal_paper_doi               10.1016/j.matchemphys.2008.01.020
_journal_volume                  111
_journal_year                    2008
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ba O3 Ti'
_chemical_name_mineral           Barioperovskite
_space_group_IT_number           38
_symmetry_space_group_name_Hall  'A 2 -2'
_symmetry_space_group_name_H-M   'A m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.0094
_cell_length_b                   5.6214
_cell_length_c                   5.6386
_cell_formula_units_Z            2
_cell_volume                     127.085
_database_code_amcsd             0018580
_exptl_crystal_density_diffrn    6.094
_cod_original_formula_sum        'Ba Ti O3'
_cod_database_code               9015715
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C Annealing time = 2460 min
Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.; European Journal of Mineralogy 24 (2012) 633–643; doi:10.1127/0935-1221/2012/0024-2223

data_9015716
_publ_section_title
;
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 550 C
 Annealing time = 2460 min
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              633
_journal_page_last               643
_journal_paper_doi               10.1127/0935-1221/2012/0024-2223
_journal_volume                  24
_journal_year                    2012
_chemical_formula_sum            'Al1.461 Fe0.538 Mg1.001 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                   8.1685
_cell_length_b                   8.1685
_cell_length_c                   8.1685
_cell_formula_units_Z            8
_cell_volume                     545.038
_database_code_amcsd             0019314
_exptl_crystal_density_diffrn    3.846
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Al1.461 Mg1.001 Fe.538) O4'
_cod_database_code               9015716
Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 184 K
Ye, Y.; Smyth, J. R.; Boni, P.; American Mineralogist 97 (2012) 707–712; doi:10.2138/am.2012.3923

data_9015717
_publ_section_title
;
 Crystal structure and thermal expansion of aragonite-group carbonates
 by single-crystal X-ray diffraction
 Note: T = 184 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              707
_journal_page_last               712
_journal_paper_doi               10.2138/am.2012.3923
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'natural, unknown locality'
_chemical_formula_sum            'C Ca0.997 O3 Sr0.003'
_chemical_name_mineral           Aragonite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.9541
_cell_length_b                   7.9494
_cell_length_c                   5.7186
_cell_formula_units_Z            4
_cell_volume                     225.211
_database_code_amcsd             0018848
_exptl_crystal_density_diffrn    2.956
_cod_original_formula_sum        '(Ca.997 Sr.003) C O3'
_cod_database_code               9015717
Untersuchungen ueber die Kristallstruktur von Sesquioxyden und Verbindungen ABO3 _cod_database_code 1010588
Zachariasen, W.; Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1 (1928) 1–165; doi:

data_9015718
_publ_section_title
;
 Untersuchungen ueber die Kristallstruktur von Sesquioxyden und
 Verbindungen ABO3
 _cod_database_code 1010588
;
_journal_name_full
'Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo'
_journal_page_first              1
_journal_page_last               165
_journal_volume                  1
_journal_year                    1928
_chemical_formula_sum            'In2 O3'
_space_group_IT_number           199
_symmetry_space_group_name_Hall  'I 2b 2c 3'
_symmetry_space_group_name_H-M   'I 21 3'
_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                   10.12
_cell_formula_units_Z            16
_cell_volume                     1036.434
_database_code_amcsd             0017469
_exptl_crystal_density_diffrn    7.117
_cod_duplicate_entry             1010588
_cod_database_code               9015718
_amcsd_formula_title             'In2 O3'
(NH4)6P6O18.NH4X.H2O (X=Cl,Br,I). The first examples of cyclohexaphosphate-halides _cod_database_code 1007202
Averbuch-Pouchot M; Durif, A.; European Journal of Solid State and Inorganic Chemistry 30 (1993) 447–459; doi:

data_9015719
_publ_section_title
;
 (NH4)6P6O18.NH4X.H2O (X=Cl,Br,I). The first examples of
 cyclohexaphosphate-halides
 _cod_database_code 1007202
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              447
_journal_page_last               459
_journal_volume                  30
_journal_year                    1993
_chemical_formula_sum            'H28 I N7 O19 P6'
_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                 91.86
_cell_angle_gamma                90
_cell_length_a                   14.96
_cell_length_b                   24.819
_cell_length_c                   6.710
_cell_formula_units_Z            4
_cell_volume                     2490.058
_database_code_amcsd             0012574
_exptl_crystal_density_diffrn    1.982
_cod_duplicate_entry             1007202
_cod_original_formula_sum        'N7 P6 I O19 H28'
_cod_database_code               9015719
_amcsd_formula_title             'H30 I N7 O19 P6'
The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.0 Note: P = 5.564 GPa
Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.; Physics and Chemistry of Minerals 35 (2008) 493–504; doi:10.1007/s00269-008-0244-4

data_9015720
_publ_section_title
;
 The effect of oxygen vacancies and aluminium substitution on the
 high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5
 Note: x = 0.0
 Note: P = 5.564 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              493
_journal_page_last               504
_journal_paper_doi               10.1007/s00269-008-0244-4
_journal_volume                  35
_journal_year                    2008
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca2 Fe2 O5'
_chemical_name_mineral           Brownmillerite
_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                   5.3522
_cell_length_b                   14.5621
_cell_length_c                   5.5354
_cell_formula_units_Z            4
_cell_volume                     431.425
_database_code_amcsd             0017762
_exptl_crystal_density_diffrn    4.185
_cod_database_code               9015720
Balance, uniformity, and asymmetry of the structure of volborthite Cu3(OH)2(V2O7)*2H2O
Kashaev, A. A.; Rozhdestvenskaya, I. V.; Bannova, I. I.; Sapozhnikov, A. N.; Glebova, O. D.; Journal of Structural Chemistry 49 (2008) 708–711; doi:10.1007/s10947-008-0098-0

data_9015721
_publ_section_title
;
 Balance, uniformity, and asymmetry of the structure of volborthite
 Cu3(OH)2(V2O7)*2H2O
;
_journal_name_full               'Journal of Structural Chemistry'
_journal_page_first              708
_journal_page_last               711
_journal_paper_doi               10.1007/s10947-008-0098-0
_journal_volume                  49
_journal_year                    2008
_chemical_compound_source        'not given'
_chemical_formula_sum            'Cu3 H6 O11 V2'
_chemical_name_mineral           Volborthite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'I -2ya'
_symmetry_space_group_name_H-M   'I 1 a 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.19
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.646
_cell_length_b                   5.867
_cell_length_c                   14.432
_cell_volume                     897.728
_database_code_amcsd             0018692
_exptl_crystal_density_diffrn    3.511
_cod_original_formula_sum        'Cu3 V2 O11 H6'
_cod_database_code               9015721
Arrojadite: variations in space group and composition based on four new refinements Sample: arro135C
Steele, I. M.; General Meeting of the International Mineralogical Association 18 (2002) MO2–117; doi:

data_9015722
_publ_section_title
;
 Arrojadite: variations in space group and composition
 based on four new refinements
 Sample: arro135C
;
_journal_name_full
'General Meeting of the International Mineralogical Association'
_journal_page_first              MO2
_journal_page_last               117
_journal_volume                  18
_journal_year                    2002
_chemical_compound_source
'Chandler Mills quarry, Newport, New Hampshire, USA'
_chemical_formula_sum
'Al Ca0.84 F2 Fe10.52 K0.83 Mg3.48 Na3.106 O48 P11.74 Pb0.17 Sr0.16'
_chemical_name_mineral           Fluorarrojadite-(KFe)
_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                90.00
_cell_angle_beta                 105.78
_cell_angle_gamma                90.00
_cell_length_a                   16.459
_cell_length_b                   10.018
_cell_length_c                   24.597
_cell_formula_units_Z            4
_cell_volume                     3902.860
_database_code_amcsd             0012656
_exptl_crystal_density_diffrn    3.498
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum
'Al (Pb.17 K.83) Sr.16 Ca.84 Na3.106 (Fe10.52 Mg3.48) O48 F2 P11.74'
_cod_database_code               9015722
Neutron diffraction investigation of the temperature dependence of crystal structure and thermal motions of red HgI2 Note: T = 100 K, powder neutron data
Schwarzenbach, D.; Birkedal, H.; Hostettler, M.; Fischer, P.; Acta Crystallographica, Section B 63 (2007) 828–835; doi:10.1107/S0108768107043327

data_9015723
_publ_section_title
;
 Neutron diffraction investigation of the temperature dependence of
 crystal structure and thermal motions of red HgI2
 Note: T = 100 K, powder neutron data
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              828
_journal_page_last               835
_journal_paper_doi               10.1107/S0108768107043327
_journal_volume                  63
_journal_year                    2007
_chemical_compound_source        'synthetic, Fluka 83379'
_chemical_formula_sum            'Hg I2'
_chemical_name_mineral           Coccinite
_space_group_IT_number           137
_symmetry_space_group_name_Hall  '-P 4ac 2a'
_symmetry_space_group_name_H-M   'P 42/n m c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.360
_cell_length_b                   4.360
_cell_length_c                   12.337
_cell_formula_units_Z            2
_cell_volume                     234.521
_database_code_amcsd             0019550
_exptl_crystal_density_diffrn    6.435
_cod_original_sg_symbol_H-M      'P 42/n m c'
_cod_database_code               9015723