LMucko/crystallography-open-database huggingface dataset:
Armstrongite from Khan Bogdo (Mongolia): Crystal structure determination and implications for zeolite-like cation exchange properties
Mesto, E.; Kaneva, E.; Schingaro, E.; Vladykin, N.; Lacalamita, M.; Scordari, F.; American Mineralogist 99 (2014) 2424–2432; doi:

data_9017088
_publ_section_title
;
 Armstrongite from Khan Bogdo (Mongolia): Crystal structure determination and
 implications for zeolite-like cation exchange properties
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2424
_journal_page_last               2432
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source
'Khan Bogdo deposit, southern Gobi Desert, Gobi, Mongolia'
_chemical_formula_sum            'Ca0.96 Ce0.01 H4 O17 Si6 Yb0.01 Zr0.99'
_chemical_name_mineral           Armstrongite
_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                 109.436
_cell_angle_gamma                90
_cell_length_a                   14.0178
_cell_length_b                   14.1289
_cell_length_c                   7.8366
_cell_formula_units_Z            4
_cell_volume                     1463.639
_database_code_amcsd             0020417
_exptl_crystal_density_diffrn    2.616
_cod_data_source_file            inputs/fixed/downloads/05/05809.cif
_cod_data_source_block           05809
_cod_original_formula_sum        'Ca.96 Ce.01 Yb.01 Zr.99 Si6 O17 H4'
_cod_database_code               9017088
Steinhardtite, a new body-centered-cubic allotropic form of aluminum from the Khatyrka CV3 carbonaceous chondrite
Bindi, L.; Yao, N.; Lin, C.; Hollister, L. S.; MacPherson, G. J.; Poirier, G. R.; Andronicos, C. L.; Distler, V. V.; Eddy, M. P.; Kostin, A.; Kryachko, V.; Steinhardt, W. M.; Yudovskaya, M.; American Mineralogist 99 (2014) 2433–2436; doi:

data_9017089
_publ_section_title
;
 Steinhardtite, a new body-centered-cubic allotropic form of aluminum from the
 Khatyrka CV3 carbonaceous chondrite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2433
_journal_page_last               2436
_journal_volume                  99
_journal_year                    2014
_chemical_compound_source
'Khatyrka CV3 carbonaceous chondrite, Koryak Mountains, Russia'
_chemical_formula_sum            'Al0.38 Fe0.3 Ni0.32'
_chemical_name_mineral           Steinhardtite
_space_group_IT_number           229
_space_group_name_Hall           '-I 4 2 3'
_space_group_name_H-M_alt        'I m -3 m'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.0214
_cell_length_b                   3.0214
_cell_length_c                   3.0214
_cell_formula_units_Z            2
_cell_volume                     27.582
_database_code_amcsd             0020416
_exptl_crystal_density_diffrn    5.513
_cod_data_source_file            inputs/fixed/downloads/05/05810.cif
_cod_data_source_block           05810
_cod_original_formula_sum        '(Al.38 Ni.32 Fe.3)'
_cod_database_code               9017089
A refined monoclinic structure for a variety of "hydrohematite" Note: T = 38 C
Peterson, K. M.; Heaney, P. J.; Post, J. E.; Eng, P. J.; American Mineralogist 100 (2015) 570–579; doi:

data_9017090
_publ_section_title
;
 A refined monoclinic structure for a variety of "hydrohematite"
 Note: T = 38 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              570
_journal_page_last               579
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe1.946 O3'
_chemical_name_mineral           Hydrohematite
_space_group_IT_number           15
_space_group_name_Hall           '-I 2ya'
_space_group_name_H-M_alt        'I 1 2/a 1'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.666
_cell_angle_gamma                90
_cell_length_a                   7.3951
_cell_length_b                   5.0117
_cell_length_c                   5.4417
_cell_formula_units_Z            4
_cell_volume                     200.695
_database_code_amcsd             0020338
_diffrn_ambient_temperature      311.15
_exptl_crystal_density_diffrn    5.185
_cod_data_source_file            inputs/fixed/downloads/05/05811.cif
_cod_data_source_block           05811
_cod_database_code               9017090
Klebelsbergite, Sb4O4SO4(OH)2: Stability relationships, formation in nature, and refinement of its structure
Roper, A. J.; Leverett, P.; Murphy, T. D.; Williams, P. A.; Hibbs, D. E.; American Mineralogist 100 (2015) 602–607; doi:

data_9017091
_publ_section_title
;
 Klebelsbergite, Sb4O4SO4(OH)2: Stability relationships, formation in nature,
 and refinement of its structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              602
_journal_page_last               607
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H2 O10 S Sb4'
_chemical_name_mineral           Klebelsbergite
_space_group_IT_number           29
_space_group_name_Hall           'P 2c -2ac'
_space_group_name_H-M_alt        'P c a 21'
_symmetry_space_group_name_H-M   'P c a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.7563
_cell_length_b                   11.2538
_cell_length_c                   14.8627
_cell_formula_units_Z            4
_cell_volume                     962.809
_database_code_amcsd             0020337
_exptl_crystal_density_diffrn    4.699
_cod_data_source_file            inputs/fixed/downloads/05/05812.cif
_cod_data_source_block           05812
_cod_original_cell_volume        962.810
_cod_original_formula_sum        'Sb4 S O10 H2'
_cod_database_code               9017091
Complete substitution of Fe2+ by Mg in Fe4O5: The crystal structure of the Mg2Fe2O5 end-member
Ballaran, T. B.; Uenver-Thiele L; Woodland, A. B.; American Mineralogist 100 (2015) 628–632; doi:

data_9017092
_publ_section_title
;
 Complete substitution of Fe2+ by Mg in Fe4O5: The crystal structure of the
 Mg2Fe2O5 end-member
;
_journal_name_full               'American Mineralogist'
_journal_page_first              628
_journal_page_last               632
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe2.017 Mg1.983 O5'
_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                   2.8889
_cell_length_b                   9.7282
_cell_length_c                   12.5523
_cell_formula_units_Z            4
_cell_volume                     352.767
_database_code_amcsd             0020340
_exptl_crystal_density_diffrn    4.534
_cod_data_source_file            inputs/fixed/downloads/05/05813.cif
_cod_data_source_block           05813
_cod_original_formula_sum        '(Fe2.017 Mg1.983) O5'
_cod_database_code               9017092
_amcsd_formula_title             Fe2Mg2O5
Petalite under pressure: Elastic behavior and phase stability Note: P = 0.0001 GPa
Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C.; American Mineralogist 100 (2015) 714–721; doi:

data_9017093
_publ_section_title
;
 Petalite under pressure: Elastic behavior and phase stability
 Note: P = 0.0001 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              714
_journal_page_last               721
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source
'Aracuai pegmatite district, Minas Gerais, Brazil'
_chemical_formula_sum            'Al Li O10 Si4'
_chemical_name_mineral           Petalite
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 141.3120
_cell_angle_gamma                90
_cell_length_a                   11.22955
_cell_length_b                   5.1396
_cell_length_c                   11.7514
_cell_formula_units_Z            2
_cell_volume                     423.952
_database_code_amcsd             0020423
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    2.399
_cod_data_source_file            inputs/fixed/downloads/05/05814.cif
_cod_data_source_block           05814
_cod_original_formula_sum        'Li Al Si4 O10'
_cod_database_code               9017093
Petalite under pressure: Elastic behavior and phase stability Note: P = 0.32 GPa
Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C.; American Mineralogist 100 (2015) 714–721; doi:

data_9017094
_publ_section_title
;
 Petalite under pressure: Elastic behavior and phase stability
 Note: P = 0.32 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              714
_journal_page_last               721
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source
'Aracuai pegmatite district, Minas Gerais, Brazil'
_chemical_formula_sum            'Al Li O10 Si4'
_chemical_name_mineral           Petalite
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 141.2429
_cell_angle_gamma                90
_cell_length_a                   11.2067
_cell_length_b                   5.1228
_cell_length_c                   11.7160
_cell_formula_units_Z            2
_cell_volume                     421.069
_database_code_amcsd             0020424
_diffrn_ambient_pressure         3.2e+05
_exptl_crystal_density_diffrn    2.416
_cod_data_source_file            inputs/fixed/downloads/05/05815.cif
_cod_data_source_block           05815
_cod_original_formula_sum        'Li Al Si4 O10'
_cod_database_code               9017094
Petalite under pressure: Elastic behavior and phase stability Note: P = 0.56 GPa
Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C.; American Mineralogist 100 (2015) 714–721; doi:

data_9017095
_publ_section_title
;
 Petalite under pressure: Elastic behavior and phase stability
 Note: P = 0.56 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              714
_journal_page_last               721
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source
'Aracuai pegmatite district, Minas Gerais, Brazil'
_chemical_formula_sum            'Al Li O10 Si4'
_chemical_name_mineral           Petalite
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 141.1896
_cell_angle_gamma                90
_cell_length_a                   11.1895
_cell_length_b                   5.1100
_cell_length_c                   11.6872
_cell_formula_units_Z            2
_cell_volume                     418.826
_database_code_amcsd             0020425
_diffrn_ambient_pressure         5.6e+05
_exptl_crystal_density_diffrn    2.428
_cod_data_source_file            inputs/fixed/downloads/05/05816.cif
_cod_data_source_block           05816
_cod_original_formula_sum        'Li Al Si4 O10'
_cod_database_code               9017095
Petalite under pressure: Elastic behavior and phase stability Note: P = 0.89 GPa
Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C.; American Mineralogist 100 (2015) 714–721; doi:

data_9017096
_publ_section_title
;
 Petalite under pressure: Elastic behavior and phase stability
 Note: P = 0.89 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              714
_journal_page_last               721
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source
'Aracuai pegmatite district, Minas Gerais, Brazil'
_chemical_formula_sum            'Al Li O10 Si4'
_chemical_name_mineral           Petalite
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 141.1341
_cell_angle_gamma                90
_cell_length_a                   11.1705
_cell_length_b                   5.0963
_cell_length_c                   11.6569
_cell_formula_units_Z            2
_cell_volume                     416.413
_database_code_amcsd             0020426
_diffrn_ambient_pressure         8.9e+05
_exptl_crystal_density_diffrn    2.443
_cod_data_source_file            inputs/fixed/downloads/05/05817.cif
_cod_data_source_block           05817
_cod_original_formula_sum        'Li Al Si4 O10'
_cod_database_code               9017096
Petalite under pressure: Elastic behavior and phase stability Note: P = 1.25 GPa
Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C.; American Mineralogist 100 (2015) 714–721; doi:

data_9017097
_publ_section_title
;
 Petalite under pressure: Elastic behavior and phase stability
 Note: P = 1.25 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              714
_journal_page_last               721
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source
'Aracuai pegmatite district, Minas Gerais, Brazil'
_chemical_formula_sum            'Al Li O10 Si4'
_chemical_name_mineral           Petalite
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 141.074
_cell_angle_gamma                90
_cell_length_a                   11.1425
_cell_length_b                   5.0723
_cell_length_c                   11.6092
_cell_formula_units_Z            2
_cell_volume                     412.257
_database_code_amcsd             0020427
_diffrn_ambient_pressure         1.25e+06
_exptl_crystal_density_diffrn    2.467
_cod_data_source_file            inputs/fixed/downloads/05/05818.cif
_cod_data_source_block           05818
_cod_original_formula_sum        'Li Al Si4 O10'
_cod_database_code               9017097
Petalite under pressure: Elastic behavior and phase stability Note: P = 2.71 GPa
Ross, N. L.; Zhao, J.; Slebodnick, C.; Spencer, E. C.; Chakoumakos, B. C.; American Mineralogist 100 (2015) 714–721; doi:

data_9017098
_publ_section_title
;
 Petalite under pressure: Elastic behavior and phase stability
 Note: P = 2.71 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              714
_journal_page_last               721
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source
'Aracuai pegmatite district, Minas Gerais, Brazil'
_chemical_formula_sum            'Al3 Li3 O30 Si12'
_chemical_name_mineral           Petalite-beta
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 140.6648
_cell_angle_gamma                90
_cell_length_a                   10.8301
_cell_length_b                   5.0530
_cell_length_c                   33.59
_cell_formula_units_Z            2
_cell_volume                     1165.152
_database_code_amcsd             0020428
_diffrn_ambient_pressure         2.71e+06
_exptl_crystal_density_diffrn    2.619
_cod_data_source_file            inputs/fixed/downloads/05/05819.cif
_cod_data_source_block           05819
_cod_original_formula_sum        'Li3 Al3 Si12 O30'
_cod_database_code               9017098
Eckermannite revised: The new holotype from the Jade Mine Tract, Myanmar-crystal structure, mineral data, and hints on the reasons for the rarity of eckermannite Note: Sample AMNH H108401
Oberti, R.; Boiocchi, M.; Hawthorne, F. C.; Ball, N. A.; Harlow, G. E.; American Mineralogist 100 (2015) 909–914; doi:

data_9017099
_publ_section_title
;
 Eckermannite revised: The new holotype from the Jade Mine Tract, Myanmar-crystal
 structure, mineral data, and hints on the reasons for the rarity of eckermannite
 Note: Sample AMNH H108401
;
_journal_name_full               'American Mineralogist'
_journal_page_first              909
_journal_page_last               914
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source        'Jade Mine Tract, Kachin Province, Myanmar'
_chemical_formula_sum
'Al0.62 Ca0.11 F0.03 Fe0.486 H1.97 K0.067 Mg3.884 Mn0.01 Na2.829 O23.97 Si8'
_chemical_name_mineral           Eckermannite
_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                 103.6600
_cell_angle_gamma                90
_cell_length_a                   9.8087
_cell_length_b                   17.8448
_cell_length_c                   5.2905
_cell_formula_units_Z            2
_cell_volume                     899.826
_database_code_amcsd             0020422
_exptl_crystal_density_diffrn    3.032
_cod_data_source_file            inputs/fixed/downloads/05/05820.cif
_cod_data_source_block           05820
_cod_original_formula_sum
'Na2.829 Ca.11 K.067 Mg3.884 Fe.486 Al.62 Mn.01 Si8 O23.97 F.03 H1.97'
_cod_database_code               9017099
Pieczkaite, ideally Mn5(PO4)3Cl, a new apatite-supergroup mineral from Cross Lake, Manitoba, Canada: Description and crystal structure
Tait, K.; Ball, N. A.; Hawthorne, F. C.; American Mineralogist 100 (2015) 1047–1052; doi:

data_9017100
_publ_section_title
;
 Pieczkaite, ideally Mn5(PO4)3Cl, a new apatite-supergroup mineral from Cross Lake,
 Manitoba, Canada: Description and crystal structure
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1047
_journal_page_last               1052
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source        'Cross Lake, Manitoba, Canada'
_chemical_formula_sum            'Ca1.39 Cl0.72 Fe0.26 H0.28 Mn3.41 O12.28 P3'
_chemical_name_mineral           Pieczkaite
_space_group_IT_number           176
_space_group_name_Hall           '-P 6c'
_space_group_name_H-M_alt        'P 63/m'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.504
_cell_length_b                   9.504
_cell_length_c                   6.347
_cell_volume                     496.492
_database_code_amcsd             0020469
_exptl_crystal_density_diffrn    3.831
_cod_data_source_file            inputs/fixed/downloads/05/05821.cif
_cod_data_source_block           05821
_cod_original_formula_sum        'Mn3.41 Ca1.39 Fe.26 P3 O12.28 Cl.72 H.28'
_cod_database_code               9017100
Yusupovite, Na2Zr(Si6O15)(H2O)3, a new mineral species from the Darai-Pioz alkaline massif and its implications as a new microporous filter for large ions
Agakhanov, A. A.; Pautov, L. A.; Karpenko, V. Y.; Sokolova, E.; Abdu, Y. A.; Hawthorne, F. C.; Pekov, I. V.; Siidra, O. I.; American Mineralogist 100 (2015) 1502–1508; doi:

data_9017101
_publ_section_title
;
 Yusupovite, Na2Zr(Si6O15)(H2O)3, a new mineral species from the Darai-Pioz alkaline
 massif and its implications as a new microporous filter for large ions
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1502
_journal_page_last               1508
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source        'Darai-Pioz alkaline massif, Tajikistan'
_chemical_formula_sum
'Cs0.44 H20.16 Hf0.04 K0.48 Na7.04 Nb0.08 O70.08 Si24 Y0.68 Zr3.28'
_chemical_name_mineral           Yusupovite
_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                 90.0399
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.5975
_cell_length_b                   14.1100
_cell_length_c                   14.4394
_cell_volume                     2974.093
_database_code_amcsd             0020332
_exptl_crystal_density_diffrn    2.712
_cod_data_source_file            inputs/fixed/downloads/05/05822.cif
_cod_data_source_block           05822
_cod_original_formula_sum
'Zr3.28 Y.68 Hf.04 Nb.08 Na7.04 Si24 Cs.44 K.48 O70.08 H20.16'
_cod_database_code               9017101
The MnCO3-II high-pressure polymorph of rhodocrosite Note: Sample run1-p0 Note: P = .0001 GPa
Merlini, M.; Hanfland, M.; Gemmi, M.; American Mineralogist 100 (2015) 2625–2629; doi:

data_9017102
_publ_section_title
;
 The MnCO3-II high-pressure polymorph of rhodocrosite
 Note: Sample run1-p0
 Note: P = .0001 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              2625
_journal_page_last               2629
_journal_volume                  100
_journal_year                    2015
_chemical_compound_source        'Sardegna, Italy'
_chemical_formula_sum            'C Ca0.04 Mn0.96 O3'
_chemical_name_mineral           Rhodocrosite
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_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                   4.7903
_cell_length_b                   4.7903
_cell_length_c                   15.72
_cell_formula_units_Z            6
_cell_volume                     312.398
_database_code_amcsd             0020341
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    3.647
_cod_data_source_file            inputs/fixed/downloads/05/05823.cif
_cod_data_source_block           05823
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        '(Mn.96 Ca.04) C O3'
_cod_database_code               9017102