LMucko/crystallography-open-database huggingface dataset:
Revision of the crystal structure and chemical formula of haiweeite, Ca(UO2)2(Si5O12)(OH)2*6H2O
Plasil, J.; Fejfarova, K.; Cejka, J.; Dusek, M.; Skoda, R.; Sejkora, J.; American Mineralogist 98 (2013) 718–723; doi:

data_9016913
_publ_section_title
;
 Revision of the crystal structure and chemical formula of haiweeite, Ca(UO2)2(Si5O12)(OH)2*6H2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              718
_journal_page_last               723
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        'Teofilo Otoni, Minas Gerais, Brazil'
_chemical_formula_sum            'Ca H17 O25.5 Si5 U2'
_chemical_name_mineral           Haiweeite
_space_group_IT_number           60
_space_group_name_Hall           '-P 2n 2ab'
_space_group_name_H-M_alt        'P b c n'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.3000
_cell_length_b                   14.2331
_cell_length_c                   17.9192
_cell_volume                     4667.338
_database_code_amcsd             0019934
_exptl_crystal_density_diffrn    3.079
_cod_data_source_file            inputs/fixed/downloads/05/05540.cif
_cod_data_source_block           05540
_cod_original_cell_volume        4667.337
_cod_original_formula_sum        'U2 Ca Si5 O25.5 H17'
_cod_database_code               9016913
High-pressure phase transitions of Fe3-xTixO4 solid solution up to 60 GPa correlated with electronic spin transition Note: P = 5.58 GPa
Yamanaka, T.; Kyono, A.; Nakamoto, Y.; Meng, Y.; Kharlamova, S.; Struzhkin, V. V.; Mao, H.; American Mineralogist 98 (2013) 736–744; doi:

data_9016914
_publ_section_title
;
 High-pressure phase transitions of Fe3-xTixO4 solid solution
 up to 60 GPa correlated with electronic spin transition
 Note: P = 5.58 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              736
_journal_page_last               744
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe2 O4 Ti'
_chemical_name_mineral           Ulvospinel
_space_group_IT_number           227
_space_group_name_Hall           'F 4d 2 3 -1d'
_space_group_name_H-M_alt        'F d -3 m :1'
_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                   8.4480
_cell_length_b                   8.4480
_cell_length_c                   8.4480
_cell_formula_units_Z            8
_cell_volume                     602.923
_database_code_amcsd             0019929
_diffrn_ambient_pressure         5.58e+06
_exptl_crystal_density_diffrn    4.926
_cod_data_source_file            inputs/fixed/downloads/05/05541.cif
_cod_data_source_block           05541
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Fe2 Ti O4'
_cod_database_code               9016914
High-pressure phase transitions of Fe3-xTixO4 solid solution up to 60 GPa correlated with electronic spin transition Note: P = 7 GPa
Yamanaka, T.; Kyono, A.; Nakamoto, Y.; Meng, Y.; Kharlamova, S.; Struzhkin, V. V.; Mao, H.; American Mineralogist 98 (2013) 736–744; doi:

data_9016915
_publ_section_title
;
 High-pressure phase transitions of Fe3-xTixO4 solid solution
 up to 60 GPa correlated with electronic spin transition
 Note: P = 7 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              736
_journal_page_last               744
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe2 O4 Ti'
_chemical_name_mineral           Ulvospinel
_space_group_IT_number           227
_space_group_name_Hall           'F 4d 2 3 -1d'
_space_group_name_H-M_alt        'F d -3 m :1'
_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                   8.521
_cell_length_b                   8.521
_cell_length_c                   8.521
_cell_formula_units_Z            8
_cell_volume                     618.688
_database_code_amcsd             0019930
_diffrn_ambient_pressure         7e+06
_exptl_crystal_density_diffrn    4.800
_cod_data_source_file            inputs/fixed/downloads/05/05542.cif
_cod_data_source_block           05542
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Fe2 Ti O4'
_cod_database_code               9016915
High-pressure phase transitions of Fe3-xTixO4 solid solution up to 60 GPa correlated with electronic spin transition Note: P = 14 GPa
Yamanaka, T.; Kyono, A.; Nakamoto, Y.; Meng, Y.; Kharlamova, S.; Struzhkin, V. V.; Mao, H.; American Mineralogist 98 (2013) 736–744; doi:

data_9016916
_publ_section_title
;
 High-pressure phase transitions of Fe3-xTixO4 solid solution
 up to 60 GPa correlated with electronic spin transition
 Note: P = 14 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              736
_journal_page_last               744
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe2 O4 Ti'
_chemical_name_mineral           Ulvospinel
_space_group_IT_number           141
_space_group_name_Hall           '-I 4bd 2'
_space_group_name_H-M_alt        'I 41/a m d :2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.9052
_cell_length_b                   5.9052
_cell_length_c                   8.1834
_cell_formula_units_Z            4
_cell_volume                     285.367
_database_code_amcsd             0019931
_diffrn_ambient_pressure         1.4e+07
_exptl_crystal_density_diffrn    5.204
_cod_data_source_file            inputs/fixed/downloads/05/05543.cif
_cod_data_source_block           05543
_cod_original_sg_symbol_H-M      'I 41/a m d'
_cod_original_formula_sum        'Fe2 Ti O4'
_cod_database_code               9016916
High-pressure phase transitions of Fe3-xTixO4 solid solution up to 60 GPa correlated with electronic spin transition Note: P = 50 GPa
Yamanaka, T.; Kyono, A.; Nakamoto, Y.; Meng, Y.; Kharlamova, S.; Struzhkin, V. V.; Mao, H.; American Mineralogist 98 (2013) 736–744; doi:

data_9016917
_publ_section_title
;
 High-pressure phase transitions of Fe3-xTixO4 solid solution
 up to 60 GPa correlated with electronic spin transition
 Note: P = 50 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              736
_journal_page_last               744
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe2 O4 Ti'
_chemical_name_mineral           Ulvospinel
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_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                   2.685
_cell_length_b                   9.228
_cell_length_c                   9.099
_cell_formula_units_Z            4
_cell_volume                     225.448
_database_code_amcsd             0019932
_diffrn_ambient_pressure         5e+07
_exptl_crystal_density_diffrn    6.587
_cod_data_source_file            inputs/fixed/downloads/05/05544.cif
_cod_data_source_block           05544
_cod_original_formula_sum        'Fe2 Ti O4'
_cod_database_code               9016917
High-pressure phase transitions of Fe3-xTixO4 solid solution up to 60 GPa correlated with electronic spin transition Note: P = 61 GPa
Yamanaka, T.; Kyono, A.; Nakamoto, Y.; Meng, Y.; Kharlamova, S.; Struzhkin, V. V.; Mao, H.; American Mineralogist 98 (2013) 736–744; doi:

data_9016918
_publ_section_title
;
 High-pressure phase transitions of Fe3-xTixO4 solid solution
 up to 60 GPa correlated with electronic spin transition
 Note: P = 61 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              736
_journal_page_last               744
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe2 O4 Ti'
_chemical_name_mineral           Ulvospinel
_space_group_IT_number           51
_space_group_name_Hall           '-P 2a 2a'
_space_group_name_H-M_alt        'P m m a'
_symmetry_space_group_name_H-M   'P m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.059
_cell_length_b                   2.659
_cell_length_c                   9.166
_cell_formula_units_Z            4
_cell_volume                     220.790
_database_code_amcsd             0019933
_diffrn_ambient_pressure         6.1e+07
_exptl_crystal_density_diffrn    6.726
_cod_data_source_file            inputs/fixed/downloads/05/05545.cif
_cod_data_source_block           05545
_cod_original_formula_sum        'Fe2 Ti O4'
_cod_database_code               9016918
Kangite, (Sc,Ti,Al,Zr,Mg,Ca,[_])2O3, a new ultra-refractory scandia mineral from the Allende meteorite: Synchrotron micro-Laue diffraction and electron backscatter diffraction Note: x-coordinate of Sc2, and coordinates of O atoms are changed by personal email with authors May 2013
Ma, C.; Tschauner, O.; Beckett, J. R.; Rossman, G. R.; Liu, W.; American Mineralogist 98 (2013) 870–878; doi:

data_9016919
_publ_section_title
;
 Kangite, (Sc,Ti,Al,Zr,Mg,Ca,[_])2O3, a new ultra-refractory scandia mineral
 from the Allende meteorite: Synchrotron micro-Laue diffraction and electron
 backscatter diffraction
 Note: x-coordinate of Sc2, and coordinates of O atoms are changed
 by personal email with authors May 2013
;
_journal_name_full               'American Mineralogist'
_journal_page_first              870
_journal_page_last               878
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        'Allende meteorite'
_chemical_formula_sum
'Al0.16 Ca0.06 Dy0.01 Er0.01 Fe0.02 Gd0.01 Mg0.11 O3 Sc0.54 Ti0.66 V0.03 Y0.07 Zr0.13'
_chemical_name_mineral           Kangite
_space_group_IT_number           206
_space_group_name_Hall           '-I 2b 2c 3'
_space_group_name_H-M_alt        'I a -3'
_symmetry_space_group_name_H-M   'I a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.842
_cell_length_b                   9.842
_cell_length_c                   9.842
_cell_formula_units_Z            16
_cell_volume                     953.345
_database_code_amcsd             0019830
_exptl_crystal_density_diffrn    3.870
_cod_data_source_file            inputs/fixed/downloads/05/05547.cif
_cod_data_source_block           05547
_cod_original_sg_symbol_H-M      'I a 3'
_cod_original_formula_sum
'Sc.54 Al.16 Y.07 V.03 Gd.01 Dy.01 Er.01 Ti.66 Zr.13 Mg.11 Ca.06 Fe.02 O3'
_cod_database_code               9016919
Terrywallaceite, AgPb(Sb,Bi)3S6, isotypic with gustavite, a new mineral from Mina Herminia, Julcani Mining District, Huancavelica, Peru
Yang, H.; Downs, R. T.; Evans, S. H.; Pinch, W. W.; American Mineralogist 98 (2013) 1310–1131; doi:

data_9016920
_publ_section_title
;
 Terrywallaceite, AgPb(Sb,Bi)3S6, isotypic with gustavite, a new mineral from
 Mina Herminia, Julcani Mining District, Huancavelica, Peru
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1310
_journal_page_last               1131
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source
'Mina Herminia, Julcani Mining District, Huancavelica, Peru'
_chemical_formula_sum            'Ag Bi1.47 Pb S6 Sb1.53'
_chemical_name_mineral           Terrywallaceite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.519
_cell_angle_gamma                90
_cell_length_a                   6.9764
_cell_length_b                   19.3507
_cell_length_c                   8.3870
_cell_formula_units_Z            4
_cell_volume                     1079.714
_database_code_amcsd             0019975
_exptl_crystal_density_diffrn    6.158
_cod_data_source_file            inputs/fixed/downloads/05/05548.cif
_cod_data_source_block           05548
_cod_original_formula_sum        'Ag Pb (Bi1.47 Sb1.53) S6'
_cod_database_code               9016920
Fluorophlogopite from Piano delle Concazze (Mt. Etna, Italy): Crystal chemistry and implications for the crystallization conditions Note: Sample E0
Scordari, F.; Schingaro, E.; Ventruti, G.; Nicotra, E.; Viccaro, M.; Tagliani, S. M.; American Mineralogist 98 (2013) 1017–1025; doi:

data_9016921
_publ_section_title
;
 Fluorophlogopite from Piano delle Concazze (Mt. Etna, Italy): Crystal chemistry
 and implications for the crystallization conditions
 Note: Sample E0
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1017
_journal_page_last               1025
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        'Piano delle Concazze, Mt. Etna, Italy'
_chemical_formula_sum            'F2 Fe0.605 K0.905 Mg2.395 O10 Si3.944'
_chemical_name_mineral           Fluorophlogopite
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.168
_cell_angle_gamma                90
_cell_length_a                   5.3192
_cell_length_b                   9.2181
_cell_length_c                   10.1096
_cell_formula_units_Z            2
_cell_volume                     487.918
_database_code_amcsd             0020180
_exptl_crystal_density_diffrn    2.969
_cod_data_source_file            inputs/fixed/downloads/05/05549.cif
_cod_data_source_block           05549
_cod_original_formula_sum        'K.905 Si3.944 Mg2.395 Fe.605 O10 F2'
_cod_database_code               9016921
Fluorophlogopite from Piano delle Concazze (Mt. Etna, Italy): Crystal chemistry and implications for the crystallization conditions Note: Sample E1
Scordari, F.; Schingaro, E.; Ventruti, G.; Nicotra, E.; Viccaro, M.; Tagliani, S. M.; American Mineralogist 98 (2013) 1017–1025; doi:

data_9016922
_publ_section_title
;
 Fluorophlogopite from Piano delle Concazze (Mt. Etna, Italy): Crystal chemistry
 and implications for the crystallization conditions
 Note: Sample E1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1017
_journal_page_last               1025
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        'Piano delle Concazze, Mt. Etna, Italy'
_chemical_formula_sum            'F2 Fe0.62 K0.913 Mg2.38 O10 Si3.928'
_chemical_name_mineral           Fluorophlogopite
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.185
_cell_angle_gamma                90
_cell_length_a                   5.3239
_cell_length_b                   9.2204
_cell_length_c                   10.1192
_cell_formula_units_Z            2
_cell_volume                     488.909
_database_code_amcsd             0020181
_exptl_crystal_density_diffrn    2.965
_cod_data_source_file            inputs/fixed/downloads/05/05550.cif
_cod_data_source_block           05550
_cod_original_formula_sum        'K.913 Si3.928 Mg2.38 Fe.62 O10 F2'
_cod_database_code               9016922
Fluorophlogopite from Piano delle Concazze (Mt. Etna, Italy): Crystal chemistry and implications for the crystallization conditions Note: Sample E2
Scordari, F.; Schingaro, E.; Ventruti, G.; Nicotra, E.; Viccaro, M.; Tagliani, S. M.; American Mineralogist 98 (2013) 1017–1025; doi:

data_9016923
_publ_section_title
;
 Fluorophlogopite from Piano delle Concazze (Mt. Etna, Italy): Crystal chemistry
 and implications for the crystallization conditions
 Note: Sample E2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1017
_journal_page_last               1025
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        'Piano delle Concazze, Mt. Etna, Italy'
_chemical_formula_sum            'F2 Fe0.61 K0.894 Mg2.39 O10 Si3.945'
_chemical_name_mineral           Fluorophlogopite
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.228
_cell_angle_gamma                90
_cell_length_a                   5.3200
_cell_length_b                   9.2138
_cell_length_c                   10.1130
_cell_formula_units_Z            2
_cell_volume                     487.836
_database_code_amcsd             0020182
_exptl_crystal_density_diffrn    2.967
_cod_data_source_file            inputs/fixed/downloads/05/05551.cif
_cod_data_source_block           05551
_cod_original_formula_sum        'K.894 Si3.945 Mg2.39 Fe.61 O10 F2'
_cod_database_code               9016923
Fluorophlogopite from Piano delle Concazze (Mt. Etna, Italy): Crystal chemistry and implications for the crystallization conditions Note: Sample E3
Scordari, F.; Schingaro, E.; Ventruti, G.; Nicotra, E.; Viccaro, M.; Tagliani, S. M.; American Mineralogist 98 (2013) 1017–1025; doi:

data_9016924
_publ_section_title
;
 Fluorophlogopite from Piano delle Concazze (Mt. Etna, Italy): Crystal chemistry
 and implications for the crystallization conditions
 Note: Sample E3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1017
_journal_page_last               1025
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        'Piano delle Concazze, Mt. Etna, Italy'
_chemical_formula_sum            'F2 Fe0.232 K0.897 Mg2.767 O10 Si3.923'
_chemical_name_mineral           Fluorophlogopite
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.249
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3237
_cell_length_b                   9.2221
_cell_length_c                   10.1159
_cell_volume                     488.723
_database_code_amcsd             0020183
_exptl_crystal_density_diffrn    2.878
_cod_data_source_file            inputs/fixed/downloads/05/05552.cif
_cod_data_source_block           05552
_cod_original_formula_sum        'K.897 Si3.923 Mg2.767 Fe.232 O10 F2'
_cod_database_code               9016924
Local structure in C2/c clinopyroxenes on the hedenbergite (CaFeSi2O6)- ferrosilite (Fe2Si2O6) join: A new interpretation for the Mossbauer spectra of Ca-rich C2/c clinopyroxenes and implications for pyroxene exsolution Note split-M2-O2-O3 model Sample: Hd50Fs50
Abdu, Y. A.; Hawthorne, F. C.; American Mineralogist 98 (2013) 1227–1234; doi:

data_9016925
_publ_section_title
;
 Local structure in C2/c clinopyroxenes on the hedenbergite (CaFeSi2O6)-
 ferrosilite (Fe2Si2O6) join: A new interpretation for the Mossbauer spectra
 of Ca-rich C2/c clinopyroxenes and implications for pyroxene exsolution
 Note split-M2-O2-O3 model
 Sample: Hd50Fs50
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1227
_journal_page_last               1234
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca0.5 Fe1.5 O6 Si2'
_chemical_name_mineral           Ferrosilite
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.27
_cell_angle_gamma                90
_cell_length_a                   9.793
_cell_length_b                   9.078
_cell_length_c                   5.238
_cell_formula_units_Z            4
_cell_volume                     447.014
_database_code_amcsd             0019860
_exptl_crystal_density_diffrn    3.804
_cod_data_source_file            inputs/fixed/downloads/05/05553.cif
_cod_data_source_block           05553
_cod_original_formula_sum        'Fe1.5 Ca.5 Si2 O6'
_cod_database_code               9016925
Local structure in C2/c clinopyroxenes on the hedenbergite (CaFeSi2O6)- ferrosilite (Fe2Si2O6) join: A new interpretation for the Mossbauer spectra of Ca-rich C2/c clinopyroxenes and implications for pyroxene exsolution Note split-M2-O2-O3 model Sample: Hd50Fs50
Abdu, Y. A.; Hawthorne, F. C.; American Mineralogist 98 (2013) 1227–1234; doi:

data_9016926
_publ_section_title
;
 Local structure in C2/c clinopyroxenes on the hedenbergite (CaFeSi2O6)-
 ferrosilite (Fe2Si2O6) join: A new interpretation for the Mossbauer spectra
 of Ca-rich C2/c clinopyroxenes and implications for pyroxene exsolution
 Note split-M2-O2-O3 model
 Sample: Hd50Fs50
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1227
_journal_page_last               1234
_journal_volume                  98
_journal_year                    2013
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca0.5 Fe1.5 O6 Si2'
_chemical_name_mineral           Hedenbergite
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.27
_cell_angle_gamma                90
_cell_length_a                   9.793
_cell_length_b                   9.078
_cell_length_c                   5.238
_cell_formula_units_Z            4
_cell_volume                     447.014
_database_code_amcsd             0019861
_exptl_crystal_density_diffrn    3.804
_cod_data_source_file            inputs/fixed/downloads/05/05554.cif
_cod_data_source_block           05554
_cod_original_formula_sum        'Fe1.5 Ca.5 Si2 O6'
_cod_database_code               9016926
_cod_duplicate_entry 9016925