LMucko/crystallography-open-database huggingface dataset:
Proprietes d'echange d'ions des pyrochlores A B2 O6 - I _cod_database_code 1001033
Michel, C.; Groult, D.; Raveau, B.; Journal of Inorganic and Nuclear Chemistry 37 (1975) 247–250; doi:10.1016/0022-1902(75)80158-8

data_9014609
_publ_section_title
;
 Proprietes d'echange d'ions des pyrochlores A B2 O6 - I
 _cod_database_code 1001033
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              247
_journal_page_last               250
_journal_paper_doi               10.1016/0022-1902(75)80158-8
_journal_volume                  37
_journal_year                    1975
_chemical_formula_sum            'Li Nb O7 W'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.397
_cell_length_b                   10.397
_cell_length_c                   10.397
_cell_formula_units_Z            8
_cell_volume                     1123.891
_database_code_amcsd             0013035
_exptl_crystal_density_diffrn    4.677
_cod_duplicate_entry             1001033
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Li (Nb W) O7'
_cod_database_code               9014609
_amcsd_formula_title             'H2 Li Nb O7 W'
Crystal structure of holtite II
Zubkova, N. V.; Pushcharovskii, D. Y.; Kabalov, Y. K.; Kazantsev, S. S.; Voloshin, A. V.; Crystallography Reports 51 (2006) 16–22; doi:10.1134/S1063774506010044

data_9014610
_publ_section_title
;
 Crystal structure of holtite II
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              16
_journal_page_last               22
_journal_paper_doi               10.1134/S1063774506010044
_journal_volume                  51
_journal_year                    2006
_chemical_compound_source        'Kola Peninsula, Russia'
_chemical_formula_sum            'Al6.12 As0.1 B O16.86 Sb1.14 Si1.3 Ta0.3'
_chemical_name_mineral           Holtite
_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                   4.6893
_cell_length_b                   11.881
_cell_length_c                   20.394
_cell_formula_units_Z            4
_cell_volume                     1136.223
_database_code_amcsd             0019758
_exptl_crystal_density_diffrn    3.991
_cod_original_formula_sum        'Ta.3 Al6.12 Sb1.14 Si1.3 As.1 B O16.86'
_cod_database_code               9014610
Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X-ray-diffraction data Note: T = 500 C Note: P = 101 kPa
Antao, S. M.; Hassan, I.; The Canadian Mineralogist 48 (2010) 1225–1236; doi:10.3749/canmin.48.5.1225

data_9014611
_publ_section_title
;
 Temperature dependence of the structural parameters
 in the transformation of aragonite to calcite,
 as determined from in situ synchrotron powder X-ray-diffraction data
 Note: T = 500 C
 Note: P = 101 kPa
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1225
_journal_page_last               1236
_journal_paper_doi               10.3749/canmin.48.5.1225
_journal_volume                  48
_journal_year                    2010
_chemical_compound_source        'Cuenca, Spain'
_chemical_formula_sum            'C Ca O3'
_chemical_name_mineral           Calcite
_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                   4.9775
_cell_length_b                   4.9775
_cell_length_c                   17.3105
_cell_formula_units_Z            6
_cell_volume                     371.418
_database_code_amcsd             0017859
_exptl_crystal_density_diffrn    2.685
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Ca C O3'
_cod_database_code               9014611
An Mo^V^ monophosphate, Rb2Mo2P2O11 _cod_database_code 1001613
Guesdon, A.; Leclaire, A.; Borel, M.; Grandin, A.; Raveau, B.; Acta Crystallographica, Section C 50 (1994) 1852–1854; doi:10.1107/S0108270194006621

data_9014612
_publ_section_title
;
 An Mo^V^ monophosphate, Rb2Mo2P2O11
 _cod_database_code 1001613
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1852
_journal_page_last               1854
_journal_paper_doi               10.1107/S0108270194006621
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Mo4 O22 P4 Rb4'
_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                 97.70
_cell_angle_gamma                90
_cell_length_a                   9.973
_cell_length_b                   10.180
_cell_length_c                   10.012
_cell_formula_units_Z            2
_cell_volume                     1007.304
_database_code_amcsd             0010296
_exptl_crystal_density_diffrn    3.961
_cod_duplicate_entry             1001613
_cod_original_formula_sum        'Mo4 P4 Rb4 O22'
_cod_database_code               9014612
_amcsd_formula_title             'Mo2 O11 P2 Rb2'
Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8 _cod_database_code 1001232
Tarte, P.; Cahay, R.; Preudhomme, J.; Hervieu, M.; Choisnet, J.; Raveau, B.; Journal of Solid State Chemistry 44 (1982) 282–289; doi:10.1016/0022-4596(82)90375-9

data_9014613
_publ_section_title
;
 Hexagonal-spinel transitions in antimonates Li2Cr(3-x)M(III)xSbO8
 _cod_database_code 1001232
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              282
_journal_page_last               289
_journal_paper_doi               10.1016/0022-4596(82)90375-9
_journal_volume                  44
_journal_year                    1982
_chemical_formula_sum            'Fe1.5 Li O4 Sb0.5'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.425
_cell_length_b                   8.425
_cell_length_c                   8.425
_cell_formula_units_Z            8
_cell_volume                     598.012
_database_code_amcsd             0013492
_exptl_crystal_density_diffrn    4.789
_cod_duplicate_entry             1001232
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Li Fe1.5 Sb.5) O4'
_cod_database_code               9014613
_amcsd_formula_title             'Fe3 Li2 O8 Sb'
Contribution to the crystal chemistry of tetrametaphosphates (I). _cod_database_code 1007173
Averbuch-Pouchot M; Durif, A.; Journal of Solid State Chemistry 58 (1985) 119–132; doi:10.1016/0022-4596(85)90275-0

data_9014614
_publ_section_title
;
 Contribution to the crystal chemistry of tetrametaphosphates (I).
 _cod_database_code 1007173
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              119
_journal_page_last               132
_journal_paper_doi               10.1016/0022-4596(85)90275-0
_journal_volume                  58
_journal_year                    1985
_chemical_formula_sum            'H2 K Na O7 P2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.94
_cell_angle_beta                 106.95
_cell_angle_gamma                95.61
_cell_length_a                   11.341
_cell_length_b                   7.907
_cell_length_c                   7.918
_cell_formula_units_Z            4
_cell_volume                     675.655
_database_code_amcsd             0013549
_exptl_crystal_density_diffrn    2.340
_cod_duplicate_entry             1007173
_cod_original_formula_sum        'K Na P2 O7 H2'
_cod_database_code               9014614
_amcsd_formula_title             'H4 K2 Na2 O14 P4'
Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH: evidence from spectroscopy and ab initio simulations Sample: Run #630
Jahn, S.; Wunder, B.; Koch-Muller M; Tarrieu, L.; Pohle, M.; Watenphul, A.; Taran, M. N.; European Journal of Mineralogy 24 (2012) 839–850; doi:10.1127/0935-1221/2012/0024-2228

data_9014615
_publ_section_title
;
 Pressure-induced hydrogen bond symmetrisation in guyanaite, B-CrOOH:
 evidence from spectroscopy and ab initio simulations
 Sample: Run #630
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              839
_journal_page_last               850
_journal_paper_doi               10.1127/0935-1221/2012/0024-2228
_journal_volume                  24
_journal_year                    2012
_chemical_compound_source
'synthetic at 4.0 GPa and 600 deg C for 24 hours'
_chemical_formula_sum            'Cr H2 O2'
_chemical_name_mineral           Guyanaite
_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                   4.8691
_cell_length_b                   4.3184
_cell_length_c                   2.9594
_cell_formula_units_Z            2
_cell_volume                     62.226
_database_code_amcsd             0019393
_exptl_crystal_density_diffrn    4.590
_cod_original_formula_sum        'Cr O2 H2'
_cod_database_code               9014615
Crystal chemistry of alkali-deficient schorl and tourmaline structural relationships
Foit, F. F.; American Mineralogist 74 (1989) 422–431; doi:

data_9014616
_publ_section_title
;
 Crystal chemistry of alkali-deficient schorl and tourmaline structural
 relationships
;
_journal_name_full               'American Mineralogist'
_journal_page_first              422
_journal_page_last               431
_journal_volume                  74
_journal_year                    1989
_chemical_compound_source        'Jack Creek deposit, near Basin, Montana, USA'
_chemical_formula_sum
'Al7.029 B3 F0.14 Fe1.761 H3.38 Mg0.33 Na0.55 O30.86 Si5.862 Ti0.018'
_chemical_name_mineral           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                   15.963
_cell_length_b                   15.963
_cell_length_c                   7.148
_cell_volume                     1577.409
_database_code_amcsd             0001229
_exptl_crystal_density_diffrn    3.178
_cod_original_cell_volume        1577.408
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.55 Fe1.761 Al7.029 Mg.33 Ti.018 Si5.862 B3 O30.86 F.14 H3.38'
_cod_database_code               9014616
Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 50 K
Knight, K. S.; Henderson, C. M. B.; European Journal of Mineralogy 19 (2007) 189–200; doi:10.1127/0935-1221/2007/0019-1711

data_9014617
_publ_section_title
;
 Structural basis for the anomalous low-temperature thermal expansion
 behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
 Sample: T = 50 K
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              189
_journal_page_last               200
_journal_paper_doi               10.1127/0935-1221/2007/0019-1711
_journal_volume                  19
_journal_year                    2007
_chemical_formula_sum            'Ba0.5 Cu O10 Si4 Sr0.5'
_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                   7.39601
_cell_length_b                   7.39601
_cell_length_c                   15.8469
_cell_formula_units_Z            4
_cell_volume                     866.841
_database_code_amcsd             0007209
_exptl_crystal_density_diffrn    3.436
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        '(Ba.5 Sr.5) Cu Si4 O10'
_cod_database_code               9014617
Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction Note: T = 415 K
Ye, Y.; Smyth, J. R.; Boni, P.; American Mineralogist 97 (2012) 707–712; doi:10.2138/am.2012.3923

data_9014618
_publ_section_title
;
 Crystal structure and thermal expansion of aragonite-group carbonates
 by single-crystal X-ray diffraction
 Note: T = 415 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_formula_units_Z            4
_cell_length_a                   4.9667
_cell_length_b                   7.9775
_cell_length_c                   5.7680
_cell_volume                     228.539
_database_code_amcsd             0018854
_exptl_crystal_density_diffrn    2.913
_cod_original_formula_sum        '(Ca.997 Sr.003) C O3'
_cod_database_code               9014618
Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6
Baldinozzi, G.; Sciau, P.; Pinot, M.; Grebille, D.; Acta Crystallographica, Section B 51 (1995) 668–673; doi:10.1107/S0108768194014047

data_9014619
_publ_section_title
;
 Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              668
_journal_page_last               673
_journal_paper_doi               10.1107/S0108768194014047
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'Mg O6 Pb1.999 W'
_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                   8.0058
_cell_length_b                   8.0058
_cell_length_c                   8.0058
_cell_formula_units_Z            4
_cell_volume                     513.114
_database_code_amcsd             0009887
_exptl_crystal_density_diffrn    9.299
_cod_duplicate_entry             1001660
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Pb1.999 Mg W O6'
_cod_database_code               9014619
_amcsd_formula_title             'Mg O6 Pb2 W'
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L22, ordered 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_9014620
_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: L22, ordered 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
'Al7.239 B3 Ca0.683 F0.638 Fe0.063 H3.362 Li1.632 Mg0.027 Mn0.036 Na0.247 O30.362 Pb0.006 Si6 Ti0.003'
_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                   15.8306
_cell_length_b                   15.8306
_cell_length_c                   7.0999
_cell_formula_units_Z            3
_cell_volume                     1540.911
_database_code_amcsd             0018438
_exptl_crystal_density_diffrn    3.070
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Ca.683 Na.247 Pb.006 Ti.003 Al7.239 Fe.063 Mg.027 Mn.036 Li1.632 Si6 B3 F.638 O30.362 H3.362'
_cod_database_code               9014620
Ferrotaaffeite-2N'2S, a new mineral species, and the crystal structure of Fe2±rich magnesiotaaffeite-2N'2S from the Xianghualing tin-polymetallic ore field, Hunan Province, China
Yang, Z.; Ding, K.; De Fourestier, J.; Mao, Q.; Li, H.; The Canadian Mineralogist 50 (2012) 21–29; doi:10.3749/canmin.50.1.21

data_9014621
_publ_section_title
;
 Ferrotaaffeite-2N'2S, a new mineral species, and the crystal structure of
 Fe2+-rich magnesiotaaffeite-2N'2S from the Xianghualing tin-polymetallic ore
 field, Hunan Province, China
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              21
_journal_page_last               29
_journal_paper_doi               10.3749/canmin.50.1.21
_journal_volume                  50
_journal_year                    2012
_chemical_compound_source
'Xianghualing tin-polymetallic ore field, Hunan Province, China'
_chemical_formula_sum            'Al8 Be Fe0.885 Mg1.73 O16 Sn0.063 Zn0.322'
_chemical_name_mineral           Magnesiotaaffeite-2N'2S
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.6978
_cell_length_b                   5.6978
_cell_length_c                   18.373
_cell_formula_units_Z            2
_cell_volume                     516.565
_database_code_amcsd             0019041
_exptl_crystal_density_diffrn    3.863
_cod_original_formula_sum        'Be Fe.885 Mg1.73 Sn.063 Zn.322 Al8 O16'
_cod_database_code               9014621
Polymorphic relation between cavanite and pentagonite: genetic implications of oxonium ion in cavansite
Ishida, N.; Kimata, M.; Nishida, N.; Hatta, T.; Shimizu, M.; Akasaka, T.; Journal of Mineralogical and Petrological Sciences 104 (2009) 241–252; doi:10.2465/jmps.070724b

data_9014622
_publ_section_title
;
 Polymorphic relation between cavanite and pentagonite:
 genetic implications of oxonium ion in cavansite
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              241
_journal_page_last               252
_journal_paper_doi               10.2465/jmps.070724b
_journal_volume                  104
_journal_year                    2009
_chemical_compound_source        'Deccan basalts, Wagholi, India'
_chemical_formula_sum            'Ca H8 O15 Si4 V'
_chemical_name_mineral           Pentagonite
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2c'
_symmetry_space_group_name_H-M   'C c m 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.376
_cell_length_b                   14.062
_cell_length_c                   8.984
_cell_volume                     1310.831
_database_code_amcsd             0019265
_exptl_crystal_density_diffrn    2.287
_cod_original_formula_sum        'Ca V Si4 O15 H8'
_cod_database_code               9014622
Chalcomenite from Baccu Locci, Sardinia, Italy: mineral data and structure refinement
Pasero, M.; Perchiazzi, N.; Neues Jahrbuch fur Mineralogie, Monatshefte 1989 (1989) 551–556; doi:

data_9014623
_publ_section_title
;
 Chalcomenite from Baccu Locci, Sardinia, Italy:
 mineral data and structure refinement
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              551
_journal_page_last               556
_journal_volume                  1989
_journal_year                    1989
_chemical_compound_source        'Baccu Locci, Sardinia, Italy'
_chemical_formula_sum            'Cu H4 O5 Se'
_chemical_name_mineral           Chalcomenite
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.666
_cell_length_b                   9.169
_cell_length_c                   7.373
_cell_formula_units_Z            4
_cell_volume                     450.642
_database_code_amcsd             0019225
_exptl_crystal_density_diffrn    3.339
_cod_original_formula_sum        'Cu Se O5 H4'
_cod_database_code               9014623
Structural aspects and magnetic properties of the lamellar compound Cu0.5 Cr0.5 P S3 _cod_database_code 1000460
Colombet, P.; Leblanc, A.; Danot, M.; Rouxel, J.; Journal of Solid State Chemistry 41 (1982) 174–184; doi:10.1016/0022-4596(82)90200-6

data_9014624
_publ_section_title
;
 Structural aspects and magnetic properties of the lamellar compound
 Cu0.5 Cr0.5 P S3
 _cod_database_code 1000460
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              174
_journal_page_last               184
_journal_paper_doi               10.1016/0022-4596(82)90200-6
_journal_volume                  41
_journal_year                    1982
_chemical_formula_sum            'Cr Cu P2 S6'
_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                 107.09
_cell_angle_gamma                90
_cell_length_a                   5.916
_cell_length_b                   10.246
_cell_length_c                   13.415
_cell_formula_units_Z            4
_cell_volume                     777.249
_database_code_amcsd             0013464
_exptl_crystal_density_diffrn    3.161
_cod_duplicate_entry             1000460
_cod_original_formula_sum        'S6 P2 Cr Cu'
_cod_database_code               9014624
_amcsd_formula_title             'Cr0.5 Cu0.5 P S3'