LMucko/crystallography-open-database huggingface dataset:
Compounds with the skutterudite type crystal structure. III. Structural data for arsenides and antimonides,
Kjekshus, A.; Rakke, T.; Acta Chemica Scandinavica A 28 (1974) 99–103; doi:

data_9015724
_publ_section_title
;
 Compounds with the skutterudite type crystal structure.
 III. Structural data for arsenides and antimonides,
;
_journal_name_full               'Acta Chemica Scandinavica A'
_journal_page_first              99
_journal_page_last               103
_journal_volume                  28
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe0.5 Ni0.5 Sb3'
_space_group_IT_number           204
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.0904
_cell_length_b                   9.0904
_cell_length_c                   9.0904
_cell_formula_units_Z            8
_cell_volume                     751.189
_database_code_amcsd             0017610
_exptl_crystal_density_diffrn    7.472
_cod_original_sg_symbol_H-M      'I m 3'
_cod_original_formula_sum        '(Fe.5 Ni.5) Sb3'
_cod_database_code               9015724
_amcsd_formula_title             Fe.5Ni.5Sb3
Atomic disorder, magnetic order and phase transitions of Tb Fe6 Ge6 studied by X-ray, neutron diffraction and magnetic measurement (I). _cod_database_code 1006165
Schobinger-Papamantellos P; Oleksyn, O.; Rodriguez-Carvajal J; Andre, G.; Brueck, E.; Buschow, K.; Journal of Magnetism and Magnetic Materials 182 (1998) 96–110; doi:10.1016/S0304-8853(97)01012-3

data_9015725
_publ_section_title
;
 Atomic disorder, magnetic order and phase transitions of Tb Fe6 Ge6
 studied by X-ray, neutron diffraction and magnetic measurement (I).
 _cod_database_code 1006165
;
_journal_name_full               'Journal of Magnetism and Magnetic Materials'
_journal_page_first              96
_journal_page_last               110
_journal_paper_doi               10.1016/S0304-8853(97)01012-3
_journal_volume                  182
_journal_year                    1998
_chemical_formula_sum            'Fe3 Ge3 Tb0.5'
_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                   8.1293
_cell_length_b                   17.73192
_cell_length_c                   5.11877
_cell_formula_units_Z            8
_cell_volume                     737.861
_database_code_amcsd             0013066
_exptl_crystal_density_diffrn    8.369
_cod_original_formula_sum        'Tb.5 Ge3 Fe3'
_cod_database_code               9015725
_amcsd_formula_title             'Fe6 Ge6 Tb'
_cod_duplicate_entry 1006165
Etude par diffraction de neutrons de la solution solide Pb1-x Bix F2+x: Correlations entre structure et conductivite ionique _cod_database_code 1008096
Lucat, C.; Portier, J.; Reau, J.; Hagenmueller, P.; Soubeyroux, J.; Journal of Solid State Chemistry 32 (1980) 279–287; doi:10.1016/S0022-4596(80)80021-1

data_9015726
_publ_section_title
;
 Etude par diffraction de neutrons de la solution solide Pb1-x Bix F2+x:
 Correlations entre structure et conductivite ionique
 _cod_database_code 1008096
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              279
_journal_page_last               287
_journal_paper_doi               10.1016/S0022-4596(80)80021-1
_journal_volume                  32
_journal_year                    1980
_chemical_formula_sum            'Bi0.1 F2.101 Pb0.9'
_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                   5.932
_cell_length_b                   5.932
_cell_length_c                   5.932
_cell_formula_units_Z            4
_cell_volume                     208.739
_database_code_amcsd             0016038
_exptl_crystal_density_diffrn    7.869
_cod_duplicate_entry             1008096
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        '(Pb.9 Bi.1) F2.101'
_cod_database_code               9015726
_amcsd_formula_title             'Bi0.1 F2.1 Pb0.9'
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 10.08 GPa, T = 1273 K
Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.; American Mineralogist 97 (2012) 1417–1420; doi:10.2138/am.2012.3958

data_9015727
_publ_section_title
;
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 10.08 GPa, T = 1273 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1417
_journal_page_last               1420
_journal_paper_doi               10.2138/am.2012.3958
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            Fe
_chemical_name_mineral           Iron
_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                   3.569
_cell_length_b                   3.569
_cell_length_c                   3.569
_cell_formula_units_Z            4
_cell_volume                     45.461
_database_code_amcsd             0019429
_exptl_crystal_density_diffrn    8.160
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9015727
_cod_duplicate_entry 9015166
Synthesis and crystal structure of Ba4 Mo2 O5 F7 (H F2)3.H2 O _cod_database_code 1000451
Fourquet, J.; Duroy, H.; Crosnier-Lopez M; Zeitschrift fur Anorganische und Allgemeine Chemie 623 (1997) 439–443; doi:

data_9015728
_publ_section_title
;
 Synthesis and crystal structure of Ba4 Mo2 O5 F7 (H F2)3.H2 O
 _cod_database_code 1000451
;
_journal_name_full
'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_page_first              439
_journal_page_last               443
_journal_volume                  623
_journal_year                    1997
_chemical_formula_sum            'Ba4 F13 Mo2 O6'
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   16.49699
_cell_length_b                   8.6939
_cell_length_c                   11.5174
_cell_formula_units_Z            4
_cell_volume                     1651.862
_database_code_amcsd             0015815
_exptl_crystal_density_diffrn    4.359
_cod_duplicate_entry             1000451
_cod_original_formula_sum        'Ba4 Mo2 O6 F13'
_cod_database_code               9015728
_amcsd_formula_title             'Ba4 F13 H5 Mo2 O6'
The layered cuprates Sr2-xLn1+xCu2O6-d: a structure built up from the two limit structures Sr2LnCu2O6 and Sr6Ln3Cu6O17 (Ln=Pr,Y) _cod_database_code 1001506
Lucas, S.; Caignaert, V.; Hervieu, M.; Michel, C.; Raveau, B.; European Journal of Solid State and Inorganic Chemistry 29 (1992) 399–409; doi:

data_9015729
_publ_section_title
;
 The layered cuprates Sr2-xLn1+xCu2O6-d: a structure built up
 from the two limit structures Sr2LnCu2O6 and Sr6Ln3Cu6O17
 (Ln=Pr,Y)
 _cod_database_code 1001506
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              399
_journal_page_last               409
_journal_volume                  29
_journal_year                    1992
_chemical_formula_sum            'Cu6 O17 Pr3 Sr6'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.7626
_cell_length_b                   11.5157
_cell_length_c                   20.1199
_cell_formula_units_Z            2
_cell_volume                     871.775
_database_code_amcsd             0012554
_exptl_crystal_density_diffrn    6.102
_cod_duplicate_entry             1001506
_cod_original_formula_sum        'Pr3 Sr6 Cu6 O17'
_cod_database_code               9015729
_amcsd_formula_title             'Cu2 O5.667 Pr Sr2'
A chemical and structural re-examination of fettelite samples from the type locality, Odenwald, southwest Germany Sample: R100124
Bindi, L.; Downs, R. T.; Spry, P. G.; Pinch, W. W.; Menchetti, S.; Mineralogical Magazine 76 (2012) 551–566; doi:10.1180/minmag.2012.076.3.07

data_9015730
_publ_section_title
;
 A chemical and structural re-examination of fettelite samples from the type locality,
 Odenwald, southwest Germany
 Sample: R100124
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              551
_journal_page_last               566
_journal_paper_doi               10.1180/minmag.2012.076.3.07
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        'Odenwald, southwest Germany'
_chemical_formula_sum            'Ag16 As4 Fe0.526 Hg0.474 S15'
_chemical_name_mineral           Fettelite
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.40
_cell_angle_gamma                90
_cell_length_a                   26.011
_cell_length_b                   15.048
_cell_length_c                   15.513
_cell_formula_units_Z            8
_cell_volume                     6071.850
_database_code_amcsd             0018797
_exptl_crystal_density_diffrn    5.756
_cod_original_formula_sum        '(Fe.526 Hg.474) Ag16 As4 S15'
_cod_database_code               9015730
The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.55 Note: P = 6.27 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_9015731
_publ_section_title
;
 The effect of oxygen vacancies and aluminium substitution on the
 high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5
 Note: x = 0.55
 Note: P = 6.27 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            'Al0.55 Ca2 Fe1.45 O5'
_chemical_name_mineral           Brownmillerite
_space_group_IT_number           46
_symmetry_space_group_name_Hall  'I -2b 2'
_symmetry_space_group_name_H-M   'I 2 m b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.303
_cell_length_b                   14.3778
_cell_length_c                   5.5290
_cell_formula_units_Z            4
_cell_volume                     421.561
_database_code_amcsd             0017775
_exptl_crystal_density_diffrn    4.033
_cod_original_formula_sum        'Ca2 (Fe1.45 Al.55) O5'
_cod_database_code               9015731
Cation distribution in Mg, Mn-bearing babingtonite from Arvigo, Val Calanca, Grisons, Switzerland
Armbruster, T.; Schweizerische Mineralogische und Petrographische Mitteilungen 80 (2000) 279–284; doi:

data_9015732
_publ_section_title
;
 Cation distribution in Mg, Mn-bearing babingtonite from Arvigo,
 Val Calanca, Grisons, Switzerland
;
_journal_name_full
'Schweizerische Mineralogische und Petrographische Mitteilungen'
_journal_page_first              279
_journal_page_last               284
_journal_volume                  80
_journal_year                    2000
_chemical_compound_source        'Westfield, Massachusetts, USA'
_chemical_formula_sum            'Al0.05 Ca2 Fe1.703 H Mg0.187 Mn0.06 O15 Si5'
_chemical_name_mineral           Babingtonite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                86.12
_cell_angle_beta                 93.86
_cell_angle_gamma                112.27
_cell_length_a                   7.458
_cell_length_b                   12.168
_cell_length_c                   6.675
_cell_formula_units_Z            2
_cell_volume                     558.710
_database_code_amcsd             0018476
_exptl_crystal_density_diffrn    3.364
_cod_original_cell_volume        558.711
_cod_original_formula_sum        'Ca2 Fe1.703 Mn.06 Mg.187 Al.05 Si5 H O15'
_cod_database_code               9015732
Structural refinement of neutron powder diffraction data of two-stage martensitic phase transformations in Ti50.75Ni47.75Fe1.50 shape memory alloy
Sitepu, H.; Powder Diffraction 22 (2007) 209–218; doi:10.1154/1.2754715

data_9015733
_publ_section_title
;
 Structural refinement of neutron powder diffraction data of two-stage
 martensitic phase transformations in Ti50.75Ni47.75Fe1.50 shape memory alloy
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              209
_journal_page_last               218
_journal_paper_doi               10.1154/1.2754715
_journal_volume                  22
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ni Ti0.921'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2c'
_symmetry_space_group_name_H-M   'P 1 1 21/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                97.4036
_cell_length_a                   2.92617
_cell_length_b                   4.17272
_cell_length_c                   4.69631
_cell_formula_units_Z            2
_cell_volume                     56.864
_database_code_amcsd             0018296
_exptl_crystal_density_diffrn    6.003
_cod_original_formula_sum        'Ti.921 Ni'
_cod_database_code               9015733
_amcsd_formula_title             Ti50.75Ni47.75Fe1.50
The crystalstructure of cesium-, thallium- and rubidiumperrhenates _cod_database_code 1010066
Jaeger, F.; Beintema, J.; Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen 36 (1933) 523–528; doi:

data_9015734
_publ_section_title
;
 The crystalstructure of cesium-, thallium- and rubidiumperrhenates
 _cod_database_code 1010066
;
_journal_name_full
'Proceedings of the Koninklijke Nederlandse Academie van Wetenschappen'
_journal_page_first              523
_journal_page_last               528
_journal_volume                  36
_journal_year                    1933
_chemical_formula_sum            'Re Tl'
_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                   5.63
_cell_length_b                   5.8
_cell_length_c                   13.33
_cell_formula_units_Z            4
_cell_volume                     435.278
_database_code_amcsd             0017002
_exptl_crystal_density_diffrn    5.960
_cod_duplicate_entry             1010066
_cod_original_formula_sum        'Tl Re'
_cod_database_code               9015734
_amcsd_formula_title             'O4 Re Tl'
Fassinaite, Pb22+(S2O3)(CO3), the first mineral with coexisting thiosulphate and carbonate groups: description and crystal structure Note: Sample ID FAS-01
Bindi, L.; Nestola, F.; Kolitsch, U.; Guastoni, A.; Zorzi, F.; Mineralogical Magazine 75 (2011) 2721–2732; doi:10.1180/minmag.2011.075.6.2721

data_9015735
_publ_section_title
;
 Fassinaite, Pb22+(S2O3)(CO3), the first mineral with coexisting
 thiosulphate and carbonate groups: description and crystal structure
 Note: Sample ID FAS-01
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              2721
_journal_page_last               2732
_journal_paper_doi               10.1180/minmag.2011.075.6.2721
_journal_volume                  75
_journal_year                    2011
_chemical_compound_source
'Trentini mine, Mount Naro, Vicenza Province, Veneto, Italy'
_chemical_formula_sum            'C O6 Pb2 S2'
_chemical_name_mineral           Fassinaite
_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                   16.320
_cell_length_b                   8.7616
_cell_length_c                   4.5809
_cell_formula_units_Z            4
_cell_volume                     655.020
_database_code_amcsd             0018571
_exptl_crystal_density_diffrn    5.948
_cod_original_formula_sum        'Pb2 S2 C O6'
_cod_database_code               9015735
Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2. Mit einem Anhang uber die Gitterkonstant von Pyrit
Oftedal, I.; Zeitschrift fur Physikalische Chemie 135 (1928) 291–299; doi:

data_9015736
_publ_section_title
;
 Uber die Kristallstrukturen der verbindungen RuS2, OsS2, MnTe2 und AuSb2.
 Mit einem Anhang uber die Gitterkonstant von Pyrit
;
_journal_name_full               'Zeitschrift fur Physikalische Chemie'
_journal_page_first              291
_journal_page_last               299
_journal_volume                  135
_journal_year                    1928
_chemical_formula_sum            'Os S2'
_chemical_name_mineral           Erlichmanite
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.64
_cell_length_b                   5.64
_cell_length_c                   5.64
_cell_formula_units_Z            4
_cell_volume                     179.406
_database_code_amcsd             0017725
_exptl_crystal_density_diffrn    9.416
_cod_original_sg_symbol_H-M      'P a 3'
_cod_database_code               9015736
Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10) solid solution Sample: x = .492
Knight, K. S.; Henderson, C. M. B.; Clark, S. M.; European Journal of Mineralogy 22 (2010) 411–423; doi:10.1127/0935-1221/2010/0022-2025

data_9015737
_publ_section_title
;
 Structural variations in the wesselsite-effenbergerite (Sr1-xBaxCuSi4O10)
 solid solution
 Sample: x = .492
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              411
_journal_page_last               423
_journal_paper_doi               10.1127/0935-1221/2010/0022-2025
_journal_volume                  22
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ba0.492 Cu O10 Si4 Sr0.508'
_chemical_name_mineral           Wesselsite
_space_group_IT_number           130
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.38813
_cell_length_b                   7.38813
_cell_length_c                   15.8516
_cell_formula_units_Z            4
_cell_volume                     865.251
_database_code_amcsd             0018772
_exptl_crystal_density_diffrn    3.439
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        '(Ba.492 Sr.508) Cu Si4 O10'
_cod_database_code               9015737
Struttura dei sali complessi contenenti atomi o gruppi coordinati di specie diversa.- II. Complessi a numero di coordinazione 6.I sali. (NH4)3 (V F6), Rb2 (Cr F5 (H2 O)) _cod_database_code 1010137
Passerini, L.; Pirani, R.; Gazzetta Chimica Italiana 62 (1932) 289–295; doi:

data_9015738
_publ_section_title
;
 Struttura dei sali complessi contenenti atomi o gruppi coordinati di
 specie diversa.- II. Complessi a numero di coordinazione 6.I sali.
 (NH4)3 (V F6), Rb2 (Cr F5 (H2 O))
 _cod_database_code 1010137
;
_journal_name_full               'Gazzetta Chimica Italiana'
_journal_page_first              289
_journal_page_last               295
_journal_volume                  62
_journal_year                    1932
_chemical_formula_sum            'Cr F6 H12 N3'
_space_group_IT_number           202
_symmetry_space_group_name_Hall  '-F 2 2 3'
_symmetry_space_group_name_H-M   'F m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.01
_cell_length_b                   9.01
_cell_length_c                   9.01
_cell_volume                     731.433
_database_code_amcsd             0017067
_exptl_crystal_density_diffrn    1.889
_cod_duplicate_entry             1010137
_cod_original_sg_symbol_H-M      'F m 3'
_cod_original_formula_sum        'N3 Cr F6'
_cod_database_code               9015738
_amcsd_formula_title             'Cr F6 H12 N3'
Structure cristalline du trimetaphosphate mixte de zinc-potassium tetrahydrate: K4 Zn (P3 O9)2 (H2 O)3
Seethanen, D.; Durif, A.; Averbuch-Pouchot, M. T.; Acta Crystallographica, Section B 34 (1978) 14–17; doi:10.1107/S0567740878002204

data_9015739
_publ_section_title
;
 Structure cristalline du trimetaphosphate mixte de zinc-potassium
 tetrahydrate:  K4 Zn (P3 O9)2 (H2 O)3
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              14
_journal_page_last               17
_journal_paper_doi               10.1107/S0567740878002204
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'K4 O22 P6 Zn'
_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                 124.41
_cell_angle_gamma                90
_cell_length_a                   12.444
_cell_length_b                   10.978
_cell_length_c                   9.624
_cell_formula_units_Z            2
_cell_volume                     1084.677
_database_code_amcsd             0009621
_exptl_crystal_density_diffrn    2.326
_cod_duplicate_entry             1007018
_cod_original_formula_sum        'Zn K4 P6 O22'
_cod_database_code               9015739
_amcsd_formula_title             'H8 K4 O22 P6 Zn'