LMucko/crystallography-open-database huggingface dataset:
Chromo-alumino-povondraite, NaCr3(Al4Mg2)(Si6O18)(BO3)3(OH)3O, a new mineral species of the tourmaline supergroup
Reznitskii, L.; Clark, C. M.; Hawthorne, F. C.; Grice, J. D.; Skogby, H.; Halenius, U.; Bosi, F.; American Mineralogist 99 (2014) 1767–1773; doi:

data_9017074
_publ_section_title
;
 Chromo-alumino-povondraite, NaCr3(Al4Mg2)(Si6O18)(BO3)3(OH)3O, a new mineral species
 of the tourmaline supergroup
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1767
_journal_page_last               1773
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        'Sludyanka, Lake Baikal, Russia'
_chemical_formula_sum
'Al3.08 B3 Ca0.07 Cr3.47 F0.25 Fe0.01 H3.02 K0.02 Mg2.25 Na0.87 O30.75 Si5.96 V0.22'
_chemical_name_mineral           Chromo-alumino-povondraite
_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_length_a                   16.0277
_cell_length_b                   16.0277
_cell_length_c                   7.30850
_cell_volume                     1625.928
_database_code_amcsd             0020335
_exptl_crystal_density_diffrn    3.227
_cod_data_source_file            inputs/fixed/downloads/05/05795.cif
_cod_data_source_block           05795
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.87 Ca.07 K.02 Cr3.47 Mg2.25 Al3.08 V.22 Fe.01 B3 Si5.96 O30.75 F.25 H3.02'
_cod_database_code               9017074
_cell_formula_units_Z 3
Beshtauite, (NH4)2(UO2)(SO4)2*2H2O, a new mineral from Mount Beshtau, Northern Caucasus, Russia
Pekov, I. V.; Krivovichev, S. V.; Yapaskurt, V. O.; Chukanov, N. V.; Belakovskiy, D. I.; American Mineralogist 99 (2014) 1783–1787; doi:

data_9017075
_publ_section_title
;
 Beshtauite, (NH4)2(UO2)(SO4)2*2H2O, a new mineral from Mount Beshtau,
 Northern Caucasus, Russia
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1783
_journal_page_last               1787
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source
'Mount Beshtau, Stavropol region, Northern Caucasus, Russia'
_chemical_formula_sum            'H12 N2 O12 S2 U'
_chemical_name_mineral           Beshtauite
_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                 102.123
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.7360
_cell_length_b                   7.3712
_cell_length_c                   20.856
_cell_volume                     1162.762
_database_code_amcsd             0020412
_exptl_crystal_density_diffrn    3.052
_cod_data_source_file            inputs/fixed/downloads/05/05796.cif
_cod_data_source_block           05796
_cod_original_formula_sum        'U S2 O12 (N2 H12)'
_cod_database_code               9017075
High-pressure phase transitions in FeCr2O4 and structure analysis of new post- spinel FeCr2O4 and Fe2Cr2O5 phases with meteoritical and petrological implications
Ishii, T.; Kojitani, H.; Tsukamoto, S.; Fujino, K.; Mori, D.; Inaguma, Y.; Tsujino, N.; Yoshino, T.; Yamazaki, D.; Higo, Y.; Funakoshi, K.; Akaogi, M.; American Mineralogist 99 (2014) 1788–1797; doi:

data_9017076
_publ_section_title
;
 High-pressure phase transitions in FeCr2O4 and structure analysis of new post-
 spinel FeCr2O4 and Fe2Cr2O5 phases with meteoritical and petrological implications
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1788
_journal_page_last               1797
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cr2 Fe O4'
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_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                   9.0633
_cell_length_b                   2.95793
_cell_length_c                   10.6391
_cell_formula_units_Z            4
_cell_volume                     285.219
_database_code_amcsd             0020399
_exptl_crystal_density_diffrn    5.213
_cod_data_source_file            inputs/fixed/downloads/05/05797.cif
_cod_data_source_block           05797
_cod_original_formula_sum        'Fe Cr2 O4'
_cod_database_code               9017076
_amcsd_formula_title             FeCr2O4
High-pressure phase transitions in FeCr2O4 and structure analysis of new post- spinel FeCr2O4 and Fe2Cr2O5 phases with meteoritical and petrological implications
Ishii, T.; Kojitani, H.; Tsukamoto, S.; Fujino, K.; Mori, D.; Inaguma, Y.; Tsujino, N.; Yoshino, T.; Yamazaki, D.; Higo, Y.; Funakoshi, K.; Akaogi, M.; American Mineralogist 99 (2014) 1788–1797; doi:

data_9017077
_publ_section_title
;
 High-pressure phase transitions in FeCr2O4 and structure analysis of new post-
 spinel FeCr2O4 and Fe2Cr2O5 phases with meteoritical and petrological implications
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1788
_journal_page_last               1797
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cr2 Fe O4'
_chemical_name_mineral           Xieite
_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                   2.88445
_cell_length_b                   9.5207
_cell_length_c                   9.7532
_cell_formula_units_Z            4
_cell_volume                     267.842
_database_code_amcsd             0020400
_exptl_crystal_density_diffrn    5.551
_cod_data_source_file            inputs/fixed/downloads/05/05798.cif
_cod_data_source_block           05798
_cod_original_formula_sum        'Fe Cr2 O4'
_cod_database_code               9017077
High-pressure phase transitions in FeCr2O4 and structure analysis of new post- spinel FeCr2O4 and Fe2Cr2O5 phases with meteoritical and petrological implications
Ishii, T.; Kojitani, H.; Tsukamoto, S.; Fujino, K.; Mori, D.; Inaguma, Y.; Tsujino, N.; Yoshino, T.; Yamazaki, D.; Higo, Y.; Funakoshi, K.; Akaogi, M.; American Mineralogist 99 (2014) 1788–1797; doi:

data_9017078
_publ_section_title
;
 High-pressure phase transitions in FeCr2O4 and structure analysis of new post-
 spinel FeCr2O4 and Fe2Cr2O5 phases with meteoritical and petrological implications
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1788
_journal_page_last               1797
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cr2 Fe2 O5'
_space_group_IT_number           55
_space_group_name_Hall           '-P 2 2ab'
_space_group_name_H-M_alt        'P b a m'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.6642
_cell_length_b                   12.5000
_cell_length_c                   2.9023
_cell_formula_units_Z            4
_cell_volume                     350.605
_database_code_amcsd             0020401
_exptl_crystal_density_diffrn    5.602
_cod_data_source_file            inputs/fixed/downloads/05/05799.cif
_cod_data_source_block           05799
_cod_original_formula_sum        'Fe2 Cr2 O5'
_cod_database_code               9017078
_amcsd_formula_title             Fe2Cr2O5
Crystal chemistry of dense hydrous magnesium silicates: The structure of phase H, MgSiH2O4, synthesized at 45 GPa and 1000 C
Bindi, L.; Nishi, M.; Tsuchiya, J.; Irifune, T.; American Mineralogist 99 (2014) 1802–1805; doi:

data_9017079
_publ_section_title
;
 Crystal chemistry of dense hydrous magnesium silicates: The structure of phase H,
 MgSiH2O4, synthesized at 45 GPa and 1000 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1802
_journal_page_last               1805
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H Mg0.5 O2 Si0.5'
_chemical_name_mineral           'Phase H'
_space_group_IT_number           58
_space_group_name_Hall           '-P 2 2n'
_space_group_name_H-M_alt        'P n n m'
_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                   4.733
_cell_length_b                   4.3250
_cell_length_c                   2.8420
_cell_formula_units_Z            2
_cell_volume                     58.176
_database_code_amcsd             0020313
_exptl_crystal_density_diffrn    3.380
_exptl_crystal_pressure_history  'synthesized at 45 GPa'
_exptl_crystal_thermal_history   'synthesized at 45 GPa and 1000 C'
_cod_data_source_file            inputs/fixed/downloads/05/05800.cif
_cod_data_source_block           05800
_cod_original_formula_sum        '(Mg.5 Si.5) O2 H'
_cod_database_code               9017079
Agakhanovite-(Y), ideally (YCa)2KBe3Si12O30, a new milarite-group mineral from the Heftetjern pegmatite, Tordal, Southern Norway: description and crystal structure
Hawthorne, F. C.; Abdu, Y. A.; Ball, N. A.; Cerny, P.; Kristiansen, R.; American Mineralogist 99 (2014) 2084–2088; doi:

data_9017080
_publ_section_title
;
 Agakhanovite-(Y), ideally (YCa)2KBe3Si12O30, a new milarite-group mineral from the
 Heftetjern pegmatite, Tordal, Southern Norway: description and crystal structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2084
_journal_page_last               2088
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        'Heftetjern pegmatite, Tordal, Norway'
_chemical_formula_sum
'Al0.07 Be2.93 Ca1.08 H1.84 K Na0.02 O30.92 Si12 Y0.91 Yb0.01'
_chemical_name_mineral           Agakhanovite-(Y)
_space_group_IT_number           192
_space_group_name_Hall           '-P 6 2c'
_space_group_name_H-M_alt        'P 6/m c c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.3476
_cell_length_b                   10.3476
_cell_length_c                   13.7610
_cell_volume                     1276.027
_database_code_amcsd             0020413
_exptl_crystal_density_diffrn    2.674
_cod_data_source_file            inputs/fixed/downloads/05/05801.cif
_cod_data_source_block           05801
_cod_original_formula_sum
'Y.91 Yb.01 Ca1.08 O30.92 Na.02 K (Be2.93 Al.07) Si12 H1.84'
_cod_database_code               9017080
Ichnusaite, Th(MoO4)2*3H2O, the first natural thorium molybdate: occurrence, description, and crystal structure
Orlandi, P.; Biagioni, C.; Bindi, L.; Nestola, F.; American Mineralogist 99 (2014) 2089–2094; doi:

data_9017081
_publ_section_title
;
 Ichnusaite, Th(MoO4)2*3H2O, the first natural thorium molybdate: occurrence,
 description, and crystal structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2089
_journal_page_last               2094
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source
'Su Seinargiu, Sarroch, Cagliari, Sardinia, Italy'
_chemical_formula_sum            'H6 Mo2 O11 Th'
_chemical_name_mineral           Ichnusaite
_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                 90.00
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.6797
_cell_length_b                   10.3771
_cell_length_c                   9.3782
_cell_volume                     942.014
_database_code_amcsd             0020407
_exptl_crystal_density_diffrn    4.273
_cod_data_source_file            inputs/fixed/downloads/05/05802.cif
_cod_data_source_block           05802
_cod_original_formula_sum        'Th Mo2 O11 H6'
_cod_database_code               9017081
Optical absorption spectroscopy study of the causes for color variations in natural Fe-bearing gahnite: Insights from iron valency and site distribution data Note: Sample Ni8967d
Fregola, R. A.; Skogby, H.; Bosi, F.; D'Ippolito V; Andreozzi, G. B.; Halenius, U.; American Mineralogist 99 (2014) 2187–2195; doi:

data_9017082
_publ_section_title
;
 Optical absorption spectroscopy study of the causes for color variations in natural
 Fe-bearing gahnite: Insights from iron valency and site distribution data
 Note: Sample Ni8967d
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2187
_journal_page_last               2195
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        'Jemaa, Kaduna, Nigeria'
_chemical_formula_sum            'Al1.99 Fe0.04 O4 Zn0.97'
_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_length_a                   8.0912
_cell_length_b                   8.0912
_cell_length_c                   8.0912
_cell_formula_units_Z            8
_cell_volume                     529.711
_database_code_amcsd             0020408
_exptl_crystal_density_diffrn    4.598
_cod_data_source_file            inputs/fixed/downloads/05/05803.cif
_cod_data_source_block           05803
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Zn.97 Fe.04 Al1.99 O4'
_cod_database_code               9017082
Optical absorption spectroscopy study of the causes for color variations in natural Fe-bearing gahnite: Insights from iron valency and site distribution data Note: Sample Ni8967e
Fregola, R. A.; Skogby, H.; Bosi, F.; D'Ippolito V; Andreozzi, G. B.; Halenius, U.; American Mineralogist 99 (2014) 2187–2195; doi:

data_9017083
_publ_section_title
;
 Optical absorption spectroscopy study of the causes for color variations in natural
 Fe-bearing gahnite: Insights from iron valency and site distribution data
 Note: Sample Ni8967e
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2187
_journal_page_last               2195
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        'Jemaa, Kaduna, Nigeria'
_chemical_formula_sum            'Al1.98 Fe0.1 Mg0.01 O4 Zn0.91'
_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_length_a                   8.0954
_cell_length_b                   8.0954
_cell_length_c                   8.0954
_cell_formula_units_Z            8
_cell_volume                     530.536
_database_code_amcsd             0020409
_exptl_crystal_density_diffrn    4.576
_cod_data_source_file            inputs/fixed/downloads/05/05804.cif
_cod_data_source_block           05804
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Zn.91 Fe.1 Al1.98 Mg.01 O4'
_cod_database_code               9017083
Optical absorption spectroscopy study of the causes for color variations in natural Fe-bearing gahnite: Insights from iron valency and site distribution data Note: Sample Sp2781_6a
Fregola, R. A.; Skogby, H.; Bosi, F.; D'Ippolito V; Andreozzi, G. B.; Halenius, U.; American Mineralogist 99 (2014) 2187–2195; doi:

data_9017084
_publ_section_title
;
 Optical absorption spectroscopy study of the causes for color variations in natural
 Fe-bearing gahnite: Insights from iron valency and site distribution data
 Note: Sample Sp2781_6a
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2187
_journal_page_last               2195
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        'Migiandone mine, Val d'Ossola, Italy'
_chemical_formula_sum            'Al1.98 Fe0.1 Mg0.01 O4 Zn0.91'
_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_length_a                   8.0944
_cell_length_b                   8.0944
_cell_length_c                   8.0944
_cell_formula_units_Z            8
_cell_volume                     530.340
_database_code_amcsd             0020410
_exptl_crystal_density_diffrn    4.578
_cod_data_source_file            inputs/fixed/downloads/05/05805.cif
_cod_data_source_block           05805
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Zn.91 Fe.1 Al1.98 Mg.01 O4'
_cod_database_code               9017084
Optical absorption spectroscopy study of the causes for color variations in natural Fe-bearing gahnite: Insights from iron valency and site distribution data Note: Sample Sp2781_6c
Fregola, R. A.; Skogby, H.; Bosi, F.; D'Ippolito V; Andreozzi, G. B.; Halenius, U.; American Mineralogist 99 (2014) 2187–2195; doi:

data_9017085
_publ_section_title
;
 Optical absorption spectroscopy study of the causes for color variations in natural
 Fe-bearing gahnite: Insights from iron valency and site distribution data
 Note: Sample Sp2781_6c
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2187
_journal_page_last               2195
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        'Migiandone mine, Val d'Ossola, Italy'
_chemical_formula_sum            'Al1.92 Fe0.35 Mg0.03 O4 Zn0.7'
_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                   8.1103
_cell_length_b                   8.1103
_cell_length_c                   8.1103
_cell_volume                     533.471
_database_code_amcsd             0020411
_exptl_crystal_density_diffrn    4.528
_cod_data_source_file            inputs/fixed/downloads/05/05806.cif
_cod_data_source_block           05806
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Zn.7 Fe.35 Al1.92 Mg.03 O4'
_cod_database_code               9017085
Synthesis of a quenchable high-pressure form of magnetite (h-Fe3O4) with composition Fe1(Fe2+0.75Mg0.26)Fe2(Fe3+0.70Cr0.15Al0.11Si0.04)2O4 Note: Sample Crystal 1
Koch-Muller M; Mugnaioli, E.; Rhede, D.; Speziale, S.; Kolb, U.; Wirth, R.; American Mineralogist 99 (2014) 2405–2415; doi:

data_9017086
_publ_section_title
;
 Synthesis of a quenchable high-pressure form of magnetite (h-Fe3O4) with
 composition Fe1(Fe2+0.75Mg0.26)Fe2(Fe3+0.70Cr0.15Al0.11Si0.04)2O4
 Note: Sample Crystal 1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2405
_journal_page_last               2415
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al0.22 Cr0.3 Fe2.15 Mg0.26 O4 Si0.08'
_chemical_name_mineral           h-Magnetite
_space_group_IT_number           63
_space_group_name_Hall           '-A 2 2a'
_space_group_name_H-M_alt        'A m a m'
_symmetry_space_group_name_H-M   'A m a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.8
_cell_length_b                   9.6
_cell_length_c                   2.87
_cell_formula_units_Z            4
_cell_volume                     270.010
_database_code_amcsd             0020414
_exptl_crystal_density_diffrn    5.269
_cod_data_source_file            inputs/fixed/downloads/05/05807.cif
_cod_data_source_block           05807
_cod_original_formula_sum        'Fe2.15 Cr.3 Al.22 Si.08 Mg.26 O4'
_cod_database_code               9017086
Synthesis of a quenchable high-pressure form of magnetite (h-Fe3O4) with composition Fe1(Fe2+0.75Mg0.26)Fe2(Fe3+0.70Cr0.15Al0.11Si0.04)2O4 Note: Sample Crystal 2
Koch-Muller M; Mugnaioli, E.; Rhede, D.; Speziale, S.; Kolb, U.; Wirth, R.; American Mineralogist 99 (2014) 2405–2415; doi:

data_9017087
_publ_section_title
;
 Synthesis of a quenchable high-pressure form of magnetite (h-Fe3O4) with
 composition Fe1(Fe2+0.75Mg0.26)Fe2(Fe3+0.70Cr0.15Al0.11Si0.04)2O4
 Note: Sample Crystal 2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2405
_journal_page_last               2415
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al0.22 Cr0.3 Fe2.15 Mg0.26 O4 Si0.08'
_chemical_name_mineral           h-Magnetite
_space_group_IT_number           63
_space_group_name_Hall           '-A 2 2a'
_space_group_name_H-M_alt        'A m a m'
_symmetry_space_group_name_H-M   'A m a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.8
_cell_length_b                   9.6
_cell_length_c                   2.87
_cell_formula_units_Z            4
_cell_volume                     270.010
_database_code_amcsd             0020415
_exptl_crystal_density_diffrn    5.269
_cod_data_source_file            inputs/fixed/downloads/05/05808.cif
_cod_data_source_block           05808
_cod_original_formula_sum        'Fe2.15 Cr.3 Al.22 Si.08 Mg.26 O4'
_cod_database_code               9017087