LMucko/crystallography-open-database huggingface dataset:
Etude du comportement des ions en insertion dans les oxydes A10 M29.2 O78 et A10 M29.2 O78 (H2 O)10 _cod_database_code 1001324
Marini, A.; Michel, C.; Raveau, B.; Revue de Chimie Minerale 16 (1979) 73–79; doi:

data_9015257
_publ_section_title
;
 Etude du comportement des ions en insertion dans les oxydes
 A10 M29.2 O78 et A10 M29.2 O78 (H2 O)10
 _cod_database_code 1001324
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              73
_journal_page_last               79
_journal_volume                  16
_journal_year                    1979
_chemical_formula_sum            'Ag4.992 O43.99 Ta14.6'
_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                   7.52
_cell_length_b                   7.52
_cell_length_c                   36.45
_cell_formula_units_Z            2
_cell_volume                     1785.105
_database_code_amcsd             0015383
_exptl_crystal_density_diffrn    7.226
_cod_duplicate_entry             1001324
_cod_original_formula_sum        'Ag4.992 Ta14.6 O43.99'
_cod_database_code               9015257
_amcsd_formula_title             'Ag10 H20 O88 Ta29.2'
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M605, P = 15.58 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_9015258
_publ_section_title
;
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M605, P = 15.58 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                   3.533
_cell_length_b                   3.533
_cell_length_c                   3.533
_cell_formula_units_Z            4
_cell_volume                     44.099
_database_code_amcsd             0019413
_exptl_crystal_density_diffrn    8.412
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9015258
The crystal structure determination and redefinition of matulaite, Fe3+Al7(PO4)4(PO3OH)2(OH)8(H2O)8*8H2O
Kampf, A. R.; Mills, S. J.; Rumsey, M. S.; Spratt, J.; Favreau, G.; Mineralogical Magazine 76 (2012) 517–534; doi:10.1180/minmag.2012.076.3.05

data_9015259
_publ_section_title
;
 The crystal structure determination and redefinition of
 matulaite, Fe3+Al7(PO4)4(PO3OH)2(OH)8(H2O)8*8H2O
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              517
_journal_page_last               534
_journal_paper_doi               10.1180/minmag.2012.076.3.05
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source
'Bachman mine, Hellertown, Northampton County, Pennsylvania, USA'
_chemical_formula_sum            'Al7.29 Fe0.71 H42 O48 P6'
_chemical_name_mineral           Matulaite
_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                 98.848
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.604
_cell_length_b                   16.608
_cell_length_c                   20.647
_cell_volume                     3592.898
_database_code_amcsd             0018885
_exptl_crystal_density_diffrn    2.278
_cod_original_cell_volume        3592.897
_cod_original_formula_sum        'Fe.71 Al7.29 P6 O48 H42'
_cod_database_code               9015259
Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition Note: run P11, P = 36.3 GPa
Lavina, B.; Dera, P.; Downs, R. T.; Yang, W.; Sinogeikin, S.; Meng, Y.; Shen, G.; Schiferl, D.; Physical Review B 82 (2010) 064110–064118; doi:10.1103/PhysRevB.82.064110

data_9015260
_publ_section_title
;
 Structure of siderite FeCO3 to 56 GPa and hysteresis of its spin-pairing transition
 Note: run P11, P = 36.3 GPa
;
_journal_name_full               'Physical Review B'
_journal_page_first              064110
_journal_page_last               064118
_journal_paper_doi               10.1103/PhysRevB.82.064110
_journal_volume                  82
_journal_year                    2010
_chemical_compound_source        'Invigtut, Greenland'
_chemical_formula_sum            'C Fe O3'
_chemical_name_mineral           Siderite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.527
_cell_length_b                   4.527
_cell_length_c                   13.57
_cell_formula_units_Z            6
_cell_volume                     240.842
_database_code_amcsd             0017572
_exptl_crystal_density_diffrn    4.793
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Fe C O3'
_cod_database_code               9015260
Etude comparative des structures Mx WO3 de type bronze hexagonal. I. Analyse structurale des bronzes de composition M0.30WO3. Stereochimie des elements M=Rb,Tl et In
Labbe, P. H.; Goreaud, M.; Raveau, B.; Monier, J. C.; Acta Crystallographica, Section B 34 (1978) 1433–1438; doi:10.1107/S0567740878005841

data_9015261
_publ_section_title
;
 Etude comparative des structures Mx WO3 de type bronze hexagonal.
 I. Analyse structurale des bronzes de composition  M0.30WO3.
 Stereochimie des elements M=Rb,Tl et In
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1433
_journal_page_last               1438
_journal_paper_doi               10.1107/S0567740878005841
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'O9 Rb0.85 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                   7.3875
_cell_length_b                   7.3875
_cell_length_c                   7.5589
_cell_formula_units_Z            2
_cell_volume                     357.260
_database_code_amcsd             0009639
_exptl_crystal_density_diffrn    7.141
_cod_duplicate_entry             1001020
_cod_original_formula_sum        'W3 O9 Rb.85'
_cod_database_code               9015261
_amcsd_formula_title             'O3 Rb0.28 W'
Synthesis, crystal structure and intercalation behaviour of hafnium phosphate dihydrogenphosphate dihydrate _cod_database_code 1006164
Suarez, M.; Barcina, L.; Llavona, R.; Rodriguez, J.; Salvado, M.; Pertierra, P.; Garcia-Granda S; Journal of the Chemical Society, Dalton Transactions, Inorganic Chemistry 1998 (1998) 99–102; doi:

data_9015262
_publ_section_title
;
 Synthesis, crystal structure and intercalation behaviour of hafnium
 phosphate dihydrogenphosphate dihydrate
 _cod_database_code 1006164
;
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions, Inorganic Chemistry'
_journal_page_first              99
_journal_page_last               102
_journal_volume                  1998
_journal_year                    1998
_chemical_formula_sum            'Hf O10 P2'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.594
_cell_angle_gamma                90
_cell_length_a                   5.3499
_cell_length_b                   6.5949
_cell_length_c                   12.3939
_cell_formula_units_Z            2
_cell_volume                     432.372
_database_code_amcsd             0014108
_exptl_crystal_density_diffrn    3.076
_cod_duplicate_entry             1006164
_cod_original_formula_sum        'Hf P2 O10'
_cod_database_code               9015262
_amcsd_formula_title             'H6 Hf O10 P2'
Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle _cod_database_code 1010906
Teichert, W.; Klemm, W.; Zeitschrift fur Anorganische und Allgemeine Chemie 243 (1939) 86–98; doi:

data_9015263
_publ_section_title
;
 Zur Kenntnis der Hydrosulfide und Hydroselenide der Alkalimetalle
 _cod_database_code 1010906
;
_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            'Cs S'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.302
_cell_length_b                   4.302
_cell_length_c                   4.302
_cell_formula_units_Z            1
_cell_volume                     79.618
_database_code_amcsd             0017634
_exptl_crystal_density_diffrn    3.441
_cod_duplicate_entry             1010906
_cod_original_sg_symbol_H-M      'P m 3 m'
_cod_database_code               9015263
_amcsd_formula_title             'Cs H S'
Rumseyite, [Pb2OF]Cl, the first naturally occurring fluoroxychloride mineral with the parent crystal structure for layered lead oxychlorides
Turner, R. W.; Siidra, O. I.; Krivovichev, S. V.; Stanley, C. J.; Spratt, J.; Mineralogical Magazine 76 (2012) 1247–1255; doi:10.1180/minmag.2012.076.5.11

data_9015264
_publ_section_title
;
 Rumseyite, [Pb2OF]Cl, the first naturally occurring fluoroxychloride
 mineral with the parent crystal structure for layered lead oxychlorides
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              1247
_journal_page_last               1255
_journal_paper_doi               10.1180/minmag.2012.076.5.11
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        'Merehead quarry, Somerset, England'
_chemical_formula_sum            'Cl F O Pb2'
_chemical_name_mineral           Rumseyite
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.065
_cell_length_b                   4.065
_cell_length_c                   12.631
_cell_volume                     208.717
_database_code_amcsd             0019618
_exptl_crystal_density_diffrn    7.715
_cod_original_formula_sum        'Pb2 (O F) Cl'
_cod_database_code               9015264
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_9015265
_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            'Rh 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                   9.2322
_cell_length_b                   9.2322
_cell_length_c                   9.2322
_cell_formula_units_Z            8
_cell_volume                     786.893
_database_code_amcsd             0017611
_exptl_crystal_density_diffrn    7.903
_cod_original_sg_symbol_H-M      'I m 3'
_cod_database_code               9015265
_amcsd_formula_title             RhSb3
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU89
Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.; American Mineralogist 95 (2010) 724–735; doi:10.2138/am.2010.3220

data_9015266
_publ_section_title
;
 Crystal chemistry of synthetic lawsonite solid-solution series CaAl2
 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition
 Note: Run #AU89
;
_journal_name_full               'American Mineralogist'
_journal_page_first              724
_journal_page_last               735
_journal_paper_doi               10.2138/am.2010.3220
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Ca0.019 H4 O10 Si2 Sr0.981'
_chemical_name_mineral           Itoigawaite
_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                 124.42
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.4222
_cell_length_b                   13.2778
_cell_length_c                   5.8584
_cell_volume                     347.929
_database_code_amcsd             0018944
_exptl_crystal_density_diffrn    3.445
_cod_original_formula_sum        '(Ca.019 Sr.981) Al2 Si2 O10 H4'
_cod_database_code               9015266
Cupromolybdite, Cu3O(MoO4)2, a new fumarolic mineral from the Tolbachik volcano, Kamchatka Peninsula, Russia
Zelenski, M. E.; Zubkova, N. V.; Pekov, I. V.; Polekhovsky, Y. S.; Pushcharovsky, D. Y.; European Journal of Mineralogy 24 (2012) 749–757; doi:10.1127/0935-1221/2012/0024-2221

data_9015267
_publ_section_title
;
 Cupromolybdite, Cu3O(MoO4)2, a new fumarolic mineral from
 the Tolbachik volcano, Kamchatka Peninsula, Russia
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              749
_journal_page_last               757
_journal_paper_doi               10.1127/0935-1221/2012/0024-2221
_journal_volume                  24
_journal_year                    2012
_chemical_compound_source
'the Tolbachik volcano, Kamchatka Peninsula, Russia'
_chemical_formula_sum            'Cu3 Mo1.94 O9 S0.06'
_chemical_name_mineral           Cupromolybdite
_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                   7.6638
_cell_length_b                   6.8670
_cell_length_c                   14.5554
_cell_formula_units_Z            4
_cell_volume                     766.012
_database_code_amcsd             0019362
_exptl_crystal_density_diffrn    4.532
_cod_original_formula_sum        'Mo1.94 S.06 Cu3 O9'
_cod_database_code               9015267
Synthetic B-rich olenite: Correlations of single-crystal structural data Note: sample ElbK-11
Ertl, A.; Giester, G.; Ludwig, T.; Meyer, H. P.; Rossman, G. R.; American Mineralogist 97 (2012) 1591–1597; doi:10.2138/am.2012.4060

data_9015268
_publ_section_title
;
 Synthetic B-rich olenite: Correlations of single-crystal structural data
 Note: sample ElbK-11
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1591
_journal_page_last               1597
_journal_paper_doi               10.2138/am.2012.4060
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'synthetic at 400 C'
_chemical_formula_sum            'Al8.64 B4.2 H3 Li0.36 Na0.76 O31 Si4.8'
_chemical_name_mineral           Olenite
_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                   15.723
_cell_length_b                   15.723
_cell_length_c                   7.068
_cell_volume                     1513.206
_database_code_amcsd             0019527
_exptl_crystal_density_diffrn    3.069
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Na.76 Al8.64 Li.36 B4.2 Si4.8 H3 O31'
_cod_database_code               9015268
Crystal chemistry of synthetic lawsonite solid-solution series CaAl2 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition Note: Run #AU62
Liebscher, A.; Dorsam, G.; Franz, G.; Wunder, B.; Gottschalk, M.; American Mineralogist 95 (2010) 724–735; doi:10.2138/am.2010.3220

data_9015269
_publ_section_title
;
 Crystal chemistry of synthetic lawsonite solid-solution series CaAl2
 [(OH)2/(Si2O7)](H2O)-SrAl2[(OH)2/(Si2O7)](H2O) and the Cmcm-P2_1/m phase transition
 Note: Run #AU62
;
_journal_name_full               'American Mineralogist'
_journal_page_first              724
_journal_page_last               735
_journal_paper_doi               10.2138/am.2010.3220
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Ca0.807 H4 O10 Si2 Sr0.193'
_chemical_name_mineral           Lawsonite
_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_formula_units_Z            4
_cell_length_a                   5.8457
_cell_length_b                   8.8286
_cell_length_c                   13.1834
_cell_volume                     680.387
_database_code_amcsd             0018951
_exptl_crystal_density_diffrn    3.157
_cod_original_formula_sum        '(Ca.807 Sr.193) Al2 Si2 O10 H4'
_cod_database_code               9015269
Mathematical Modeling of the structures and bulk moduli of TX2 quartz and cristobalite structure types, T = C, Si, Ge and X = O, S
Gibbs, G. V.; Boisen, M. B.; Downs, R. T.; Lasaga, A. C.; Materials Research Society Symposia Proceedings 121 (1988) 155–165; doi:10.1557/PROC-121-155

data_9015270
_publ_section_title
;
 Mathematical Modeling of the structures and bulk moduli of TX2 quartz
 and cristobalite structure types, T = C, Si, Ge and X = O, S
;
_journal_name_full
'Materials Research Society Symposia Proceedings'
_journal_page_first              155
_journal_page_last               165
_journal_paper_doi               10.1557/PROC-121-155
_journal_volume                  121
_journal_year                    1988
_chemical_compound_source        'theoretical, quartz structure'
_chemical_formula_sum            'C S2'
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.232
_cell_length_b                   5.232
_cell_length_c                   5.307
_cell_formula_units_Z            3
_cell_volume                     125.810
_database_code_amcsd             0018752
_exptl_crystal_density_diffrn    3.015
_cod_struct_determination_method theoretical
_cod_database_code               9015270
_amcsd_formula_title             CS2
Zincalstibite-9R: the first nine-layer polytype with the layered double hydroxide structure-type
Mills, S. J.; Christy, A. G.; Kampf, A. R.; Housley, R. M.; Favreau, G.; Boulliard, J. C.; Bourgoin, V.; Mineralogical Magazine 76 (2012) 1337–1345; doi:10.1180/minmag.2012.076.5.01

data_9015271
_publ_section_title
;
 Zincalstibite-9R: the first nine-layer polytype with the layered double
 hydroxide structure-type
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              1337
_journal_page_last               1345
_journal_paper_doi               10.1180/minmag.2012.076.5.01
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        'Monte Avanza mine, Udine Province, Italy'
_chemical_formula_sum            'Al2.46 Cu2.86 H36 O36 Sb3 Zn3.68'
_chemical_name_mineral           Zincalstibite
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.340
_cell_length_b                   5.340
_cell_length_c                   88.01
_cell_volume                     2173.428
_database_code_amcsd             0019586
_exptl_crystal_density_diffrn    3.361
_cod_original_cell_volume        2173.427
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Zn3.68 Al2.46 Cu2.86 Sb3 (O36 H36)'
_cod_database_code               9015271
Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl50bw
Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U.; American Mineralogist 97 (2012) 1821–1827; doi:10.2138/am.2012.4177

data_9015272
_publ_section_title
;
 Cation ordering over short-range and long-range scales
 in the MgAl2O4-CuAl2O4 series
 Sample: CuAl50bw
;
_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 Cu0.24 Mg0.76 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                   8.0867
_cell_length_b                   8.0867
_cell_length_c                   8.0867
_cell_formula_units_Z            8
_cell_volume                     528.827
_database_code_amcsd             0019566
_exptl_crystal_density_diffrn    3.810
_cod_original_cell_volume        528.828
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Cu.24 Mg.76 Al2) O4'
_cod_database_code               9015272