LMucko/crystallography-open-database huggingface dataset:
Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 75.1 GPa
Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.; American Mineralogist 99 (2014) 170–177; doi:

data_9017016
_publ_section_title
;
 Crystal structure and compressibility of lead dioxide up to 140 GPa
 Note: P = 75.1 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              170
_journal_page_last               177
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Pb'
_chemical_name_mineral           Plattnerite
_space_group_IT_number           62
_space_group_name_Hall           '-P 2c 2n'
_space_group_name_H-M_alt        'P n a m'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.298
_cell_length_b                   6.239
_cell_length_c                   3.269
_cell_formula_units_Z            4
_cell_volume                     108.054
_database_code_amcsd             0020165
_diffrn_ambient_pressure         7.51e+07
_exptl_crystal_density_diffrn    14.704
_cod_data_source_file            inputs/fixed/downloads/05/05647.cif
_cod_data_source_block           05647
_cod_original_formula_sum        'Pb O2'
_cod_database_code               9017016
Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 93 GPa
Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.; American Mineralogist 99 (2014) 170–177; doi:

data_9017017
_publ_section_title
;
 Crystal structure and compressibility of lead dioxide up to 140 GPa
 Note: P = 93 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              170
_journal_page_last               177
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Pb'
_chemical_name_mineral           Plattnerite
_space_group_IT_number           62
_space_group_name_Hall           '-P 2c 2n'
_space_group_name_H-M_alt        'P n a m'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.246
_cell_length_b                   6.194
_cell_length_c                   3.228
_cell_formula_units_Z            4
_cell_volume                     104.890
_database_code_amcsd             0020166
_diffrn_ambient_pressure         9.3e+07
_exptl_crystal_density_diffrn    15.147
_cod_data_source_file            inputs/fixed/downloads/05/05648.cif
_cod_data_source_block           05648
_cod_original_formula_sum        'Pb O2'
_cod_database_code               9017017
Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 105 GPa
Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.; American Mineralogist 99 (2014) 170–177; doi:

data_9017018
_publ_section_title
;
 Crystal structure and compressibility of lead dioxide up to 140 GPa
 Note: P = 105 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              170
_journal_page_last               177
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Pb'
_chemical_name_mineral           Plattnerite
_space_group_IT_number           62
_space_group_name_Hall           '-P 2c 2n'
_space_group_name_H-M_alt        'P n a m'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.215
_cell_length_b                   6.167
_cell_length_c                   3.211
_cell_formula_units_Z            4
_cell_volume                     103.269
_database_code_amcsd             0020167
_diffrn_ambient_pressure         1.05e+08
_exptl_crystal_density_diffrn    15.385
_cod_data_source_file            inputs/fixed/downloads/05/05649.cif
_cod_data_source_block           05649
_cod_original_formula_sum        'Pb O2'
_cod_database_code               9017018
Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 120 GPa
Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.; American Mineralogist 99 (2014) 170–177; doi:

data_9017019
_publ_section_title
;
 Crystal structure and compressibility of lead dioxide up to 140 GPa
 Note: P = 120 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              170
_journal_page_last               177
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Pb'
_chemical_name_mineral           Plattnerite
_space_group_IT_number           62
_space_group_name_Hall           '-P 2c 2n'
_space_group_name_H-M_alt        'P n a m'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.128
_cell_length_b                   6.108
_cell_length_c                   3.183
_cell_formula_units_Z            4
_cell_volume                     99.697
_database_code_amcsd             0020168
_diffrn_ambient_pressure         1.2e+08
_exptl_crystal_density_diffrn    15.936
_cod_data_source_file            inputs/fixed/downloads/05/05650.cif
_cod_data_source_block           05650
_cod_original_formula_sum        'Pb O2'
_cod_database_code               9017019
Crystal structure and compressibility of lead dioxide up to 140 GPa Note: P = 140 GPa
Grocholski, B.; Shim, S. H.; Cottrell, E.; Prakapenka, V. B.; American Mineralogist 99 (2014) 170–177; doi:

data_9017020
_publ_section_title
;
 Crystal structure and compressibility of lead dioxide up to 140 GPa
 Note: P = 140 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              170
_journal_page_last               177
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O2 Pb'
_chemical_name_mineral           Plattnerite
_space_group_IT_number           62
_space_group_name_Hall           '-P 2c 2n'
_space_group_name_H-M_alt        'P n a m'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.083
_cell_length_b                   6.046
_cell_length_c                   3.152
_cell_formula_units_Z            4
_cell_volume                     96.867
_database_code_amcsd             0020169
_diffrn_ambient_pressure         1.4e+08
_exptl_crystal_density_diffrn    16.402
_cod_data_source_file            inputs/fixed/downloads/05/05651.cif
_cod_data_source_block           05651
_cod_original_formula_sum        'Pb O2'
_cod_database_code               9017020
Crystal structures and stabilities of cristobalite-helium phases at high pressures Note: P = 10 GPa
Matsui, M.; Sato, T.; Funamori, N.; American Mineralogist 99 (2014) 184–189; doi:

data_9017021
_publ_section_title
;
 Crystal structures and stabilities of cristobalite-helium phases at high pressures
 Note: P = 10 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              184
_journal_page_last               189
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        'calculated structure'
_chemical_formula_sum            'He O2 Si'
_chemical_name_mineral           Cristobalite
_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                 120.43
_cell_angle_gamma                90
_cell_length_a                   8.062
_cell_length_b                   4.797
_cell_length_c                   9.491
_cell_formula_units_Z            8
_cell_volume                     316.488
_database_code_amcsd             0020170
_diffrn_ambient_pressure         1e+07
_exptl_crystal_density_diffrn    2.690
_cod_data_source_file            inputs/fixed/downloads/05/05652.cif
_cod_data_source_block           05652
_cod_original_formula_sum        'Si O2 He'
_cod_database_code               9017021
Crystal structures and stabilities of cristobalite-helium phases at high pressures Note: P = 4 GPa
Matsui, M.; Sato, T.; Funamori, N.; American Mineralogist 99 (2014) 184–189; doi:

data_9017022
_publ_section_title
;
 Crystal structures and stabilities of cristobalite-helium phases at high pressures
 Note: P = 4 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              184
_journal_page_last               189
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        'calculated structure'
_chemical_formula_sum            'He O2 Si'
_chemical_name_mineral           Cristobalite
_space_group_IT_number           167
_space_group_name_Hall           '-P 3* 2n'
_space_group_name_H-M_alt        'R -3 c :R'
_symmetry_space_group_name_H-M   'R -3 c :R'
_cell_angle_alpha                31.809
_cell_angle_beta                 31.809
_cell_angle_gamma                31.809
_cell_length_a                   9.080
_cell_length_b                   9.080
_cell_length_c                   9.080
_cell_formula_units_Z            4
_cell_volume                     184.735
_database_code_amcsd             0020171
_diffrn_ambient_pressure         4e+06
_exptl_crystal_density_diffrn    2.304
_cod_data_source_file            inputs/fixed/downloads/05/05653.cif
_cod_data_source_block           05653
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Si O2 He'
_cod_database_code               9017022
Vanadio-oxy-dravite, NaV3(Al4Mg2)(Si6O18)(BO3)3(OH)3O, a new mineral species of the tourmaline supergroup
Bosi, F.; Skogby, H.; Reznitskii, L.; Halenius, U.; American Mineralogist 99 (2014) 218–224; doi:

data_9017023
_publ_section_title
;
 Vanadio-oxy-dravite, NaV3(Al4Mg2)(Si6O18)(BO3)3(OH)3O, a new mineral species
 of the tourmaline supergroup
;
_journal_name_full               'American Mineralogist'
_journal_page_first              218
_journal_page_last               224
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        'Sludyanka, Lake Baikal, Russia'
_chemical_formula_sum
'Al4.14 B3 Ca0.207 Cr0.18 H3 Mg2.4 Na0.793 O31 Si6 V2.253'
_chemical_name_mineral           Vanadio-oxy-dravite
_space_group_IT_number           160
_space_group_name_Hall           'R 3 -2"'
_space_group_name_H-M_alt        'R 3 m :H'
_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                   16.0273
_cell_length_b                   16.0273
_cell_length_c                   7.2833
_cell_volume                     1620.241
_database_code_amcsd             0020018
_exptl_crystal_density_diffrn    3.138
_cod_data_source_file            inputs/fixed/downloads/05/05654.cif
_cod_data_source_block           05654
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'(Na.793 Ca.207) Mg2.4 V2.253 Al4.14 Cr.18 B3 Si6 O31 H3'
_cod_database_code               9017023
Vladykinite, Na3Sr4(Fe2+Fe3+)Si8O24: A new complex sheet silicate from peralkaline rocks of the Murun complex, eastern Siberia, Russia
Chakhmourdian, A. R.; Cooper, M. A.; Ball, N.; Reguir, E. P.; Medici, L.; Abdu, Y. A.; Antonov, A. A.; American Mineralogist 99 (2014) 235–241; doi:

data_9017024
_publ_section_title
;
 Vladykinite, Na3Sr4(Fe2+Fe3+)Si8O24: A new complex sheet silicate from peralkaline
 rocks of the Murun complex, eastern Siberia, Russia
;
_journal_name_full               'American Mineralogist'
_journal_page_first              235
_journal_page_last               241
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        'Murun complex, eastern Siberia, Russia'
_chemical_formula_sum
'Al0.12 Ca0.55 Ce0.01 Fe1.41 K0.04 La0.02 Mg0.05 Mn0.26 Na2.45 O24 Si8 Sr3.84 Ti0.01 Zn0.16'
_chemical_name_mineral           Vladykinite
_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                 90.3556
_cell_angle_gamma                90
_cell_length_a                   5.21381
_cell_length_b                   7.9143
_cell_length_c                   26.0888
_cell_formula_units_Z            2
_cell_volume                     1076.499
_database_code_amcsd             0020023
_exptl_crystal_density_diffrn    3.510
_cod_data_source_file            inputs/fixed/downloads/05/05655.cif
_cod_data_source_block           05655
_cod_original_formula_sum
'Na2.45 Ca.55 Sr3.84 K.04 La.02 Ce.01 Fe1.41 Mn.26 Zn.16 Al.12 Mg.05 Ti.01 Si8 O24'
_cod_database_code               9017024
Static positional disorder in ulvospinel: A single-crystal neutron diffraction study. Note:Crystal 1
Gatta, G. D.; Bosi, F.; McIntyre, G. J.; Halenius, U.; American Mineralogist 99 (2014) 255–260; doi:

data_9017025
_publ_section_title
;
 Static positional disorder in ulvospinel: A single-crystal neutron diffraction study.
 Note:Crystal 1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              255
_journal_page_last               260
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe2.134 O4 Ti0.866'
_chemical_name_mineral           Ulvospinel
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_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                   8.5139
_cell_length_b                   8.5139
_cell_length_c                   8.5139
_cell_formula_units_Z            8
_cell_volume                     617.143
_database_code_amcsd             0020089
_exptl_crystal_density_diffrn    4.835
_cod_data_source_file            inputs/fixed/downloads/05/05656.cif
_cod_data_source_block           05656
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Fe2.134 Ti.866 O4'
_cod_database_code               9017025
Static positional disorder in ulvospinel: A single-crystal neutron diffraction study. Note:Crystal 2
Gatta, G. D.; Bosi, F.; McIntyre, G. J.; Halenius, U.; American Mineralogist 99 (2014) 255–260; doi:

data_9017026
_publ_section_title
;
 Static positional disorder in ulvospinel: A single-crystal neutron diffraction study.
 Note:Crystal 2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              255
_journal_page_last               260
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe2.111 O4 Ti0.889'
_chemical_name_mineral           Ulvospinel
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_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                   8.5139
_cell_length_b                   8.5139
_cell_length_c                   8.5139
_cell_formula_units_Z            8
_cell_volume                     617.143
_database_code_amcsd             0020090
_exptl_crystal_density_diffrn    4.832
_cod_data_source_file            inputs/fixed/downloads/05/05657.cif
_cod_data_source_block           05657
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Fe2.111 Ti.889 O4'
_cod_database_code               9017026
Static positional disorder in ulvospinel: A single-crystal neutron diffraction study. Note:Refinement with Ti at .49, .49, .49
Gatta, G. D.; Bosi, F.; McIntyre, G. J.; Halenius, U.; American Mineralogist 99 (2014) 255–260; doi:

data_9017027
_publ_section_title
;
 Static positional disorder in ulvospinel: A single-crystal neutron diffraction study.
 Note:Refinement with Ti at .49, .49, .49
;
_journal_name_full               'American Mineralogist'
_journal_page_first              255
_journal_page_last               260
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe2.134 O4 Ti0.864'
_chemical_name_mineral           Ulvospinel1
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_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                   8.5139
_cell_length_b                   8.5139
_cell_length_c                   8.5139
_cell_formula_units_Z            8
_cell_volume                     617.143
_database_code_amcsd             0020091
_exptl_crystal_density_diffrn    4.833
_cod_data_source_file            inputs/fixed/downloads/05/05658.cif
_cod_data_source_block           05658
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Fe2.134 Ti.864 O4'
_cod_database_code               9017027
Color of Mn-bearing gahnite: A first example of electronic transitions in heterovalent exchange coupled IVMn2±VIMn3+ pairs in minerals.
Halenius, U.; Bosi, F.; American Mineralogist 99 (2014) 261–266; doi:

data_9017028
_publ_section_title
;
 Color of Mn-bearing gahnite: A first example of electronic transitions in heterovalent
 exchange coupled IVMn2+-VIMn3+ pairs in minerals.
;
_journal_name_full               'American Mineralogist'
_journal_page_first              261
_journal_page_last               266
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        'Kittelgruvan, Nordmark, Varmland, Sweden'
_chemical_formula_sum            'Al1.94 Fe0.01 Mg0.38 Mn0.15 O4 Zn0.52'
_chemical_name_mineral           Gahnite
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.1123
_cell_length_b                   8.1123
_cell_length_c                   8.1123
_cell_volume                     533.866
_database_code_amcsd             0020092
_exptl_crystal_density_diffrn    4.190
_cod_data_source_file            inputs/fixed/downloads/05/05659.cif
_cod_data_source_block           05659
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Zn.52 Mg.38 Mn.15 Al1.94 Fe.01 O4'
_cod_database_code               9017028
Low intra-crystalline closure temperatures of Cr-bearing spinels from the mantle xenoliths of the Middle AtlasNeogene-Quaternary Volcanic Field (Morocco):Mineralogical evidence of a cooler mantle beneath the West African Craton. Note:Sample MAR-BI2
Lenaz, D.; Youbi, N.; Min, A. D.; Boumehdi, M. A.; Abbou, M. B.; American Mineralogist 99 (2014) 267–275; doi:

data_9017029
_publ_section_title
;
 Low intra-crystalline closure temperatures of Cr-bearing spinels from the mantle xenoliths of
 the Middle AtlasNeogene-Quaternary Volcanic Field (Morocco):Mineralogical evidence of a cooler
 mantle beneath the West African Craton.
 Note:Sample MAR-BI2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              267
_journal_page_last               275
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source
'Middle Atlas Neogene-Quaternary Volcanic Field of Morocco'
_chemical_formula_sum            'Al1.758 Cr0.242 Fe0.242 Mg0.758 O4'
_chemical_name_mineral           Spinel
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_formula_units_Z            8
_cell_angle_gamma                90
_cell_length_a                   8.1334
_cell_length_b                   8.1334
_cell_length_c                   8.1334
_cell_volume                     538.042
_database_code_amcsd             0020061
_exptl_crystal_density_diffrn    3.850
_cod_data_source_file            inputs/fixed/downloads/05/05660.cif
_cod_data_source_block           05660
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg.758 Fe.242) (Al1.758 Cr.242) O4'
_cod_database_code               9017029
Low intra-crystalline closure temperatures of Cr-bearing spinels from the mantle xenoliths of the Middle AtlasNeogene-Quaternary Volcanic Field (Morocco):Mineralogical evidence of a cooler mantle beneath the West African Craton. Note:Sample MAR-BI4
Lenaz, D.; Youbi, N.; Min, A. D.; Boumehdi, M. A.; Abbou, M. B.; American Mineralogist 99 (2014) 267–275; doi:

data_9017030
_publ_section_title
;
 Low intra-crystalline closure temperatures of Cr-bearing spinels from the mantle xenoliths of
 the Middle AtlasNeogene-Quaternary Volcanic Field (Morocco):Mineralogical evidence of a cooler
 mantle beneath the West African Craton.
 Note:Sample MAR-BI4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              267
_journal_page_last               275
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source
'Middle Atlas Neogene-Quaternary Volcanic Field of Morocco'
_chemical_formula_sum            'Al1.6 Cr0.4 Fe0.25 Mg0.75 O4'
_chemical_name_mineral           Spinel
_space_group_IT_number           227
_space_group_name_Hall           '-F 4vw 2vw 3'
_space_group_name_H-M_alt        'F d -3 m :2'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_formula_units_Z            8
_cell_angle_gamma                90
_cell_length_a                   8.1454
_cell_length_b                   8.1454
_cell_length_c                   8.1454
_cell_volume                     540.427
_database_code_amcsd             0020062
_exptl_crystal_density_diffrn    3.937
_cod_data_source_file            inputs/fixed/downloads/05/05661.cif
_cod_data_source_block           05661
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg.75 Fe.25) (Al1.6 Cr.4) O4'
_cod_database_code               9017030