LMucko/crystallography-open-database huggingface dataset:
High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 31.3 GPa
Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.; Physics and Chemistry of Minerals 41 (2014) 695–707; doi:

data_9017270
_publ_section_title
;
 High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor
 Note: P = 31.3 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              695
_journal_page_last               707
_journal_volume                  41
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cr Na O6 Si2'
_chemical_name_mineral           Kosmochlor
_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                 105.70
_cell_angle_gamma                90
_cell_length_a                   9.084
_cell_length_b                   8.077
_cell_length_c                   4.9544
_cell_formula_units_Z            4
_cell_volume                     349.950
_database_code_amcsd             0020190
_diffrn_ambient_pressure         3.13e+07
_exptl_crystal_density_diffrn    4.311
_cod_data_source_file            inputs/fixed/downloads/10/10489.cif
_cod_data_source_block           10489
_cod_original_formula_sum        'Na Cr Si2 O6'
_cod_database_code               9017270
High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 35.3 GPa
Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.; Physics and Chemistry of Minerals 41 (2014) 695–707; doi:

data_9017271
_publ_section_title
;
 High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor
 Note: P = 35.3 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              695
_journal_page_last               707
_journal_volume                  41
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cr Na O6 Si2'
_chemical_name_mineral           Kosmochlor
_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                 105.56
_cell_angle_gamma                90
_cell_length_a                   9.076
_cell_length_b                   7.971
_cell_length_c                   4.9309
_cell_formula_units_Z            4
_cell_volume                     343.651
_database_code_amcsd             0020191
_diffrn_ambient_pressure         3.53e+07
_exptl_crystal_density_diffrn    4.390
_cod_data_source_file            inputs/fixed/downloads/10/10490.cif
_cod_data_source_block           10490
_cod_original_formula_sum        'Na Cr Si2 O6'
_cod_database_code               9017271
High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 40.2 GPa
Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.; Physics and Chemistry of Minerals 41 (2014) 695–707; doi:

data_9017272
_publ_section_title
;
 High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor
 Note: P = 40.2 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              695
_journal_page_last               707
_journal_volume                  41
_journal_year                    2014
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cr Na O6 Si2'
_chemical_name_mineral           Kosmochlor
_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                 105.10
_cell_angle_gamma                90
_cell_length_a                   9.011
_cell_length_b                   7.918
_cell_length_c                   4.8955
_cell_formula_units_Z            4
_cell_volume                     337.229
_database_code_amcsd             0020192
_diffrn_ambient_pressure         4.02e+07
_exptl_crystal_density_diffrn    4.474
_cod_data_source_file            inputs/fixed/downloads/10/10491.cif
_cod_data_source_block           10491
_cod_original_formula_sum        'Na Cr Si2 O6'
_cod_database_code               9017272
High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 1.9 GPa
Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.; Physics and Chemistry of Minerals 41 (2014) 695–707; doi:

data_9017273
_publ_section_title
;
 High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor
 Note: P = 1.9 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              695
_journal_page_last               707
_journal_volume                  41
_journal_year                    2014
_chemical_compound_source
'Clear Creek, San Benito County, California, USA'
_chemical_formula_sum            'Al Na O6 Si2'
_chemical_name_mineral           Jadeite
_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                 107.44
_cell_angle_gamma                90
_cell_length_a                   9.368
_cell_length_b                   8.539
_cell_formula_units_Z            4
_cell_length_c                   5.1975
_cell_volume                     396.653
_database_code_amcsd             0020193
_diffrn_ambient_pressure         1.9e+06
_exptl_crystal_density_diffrn    3.385
_cod_data_source_file            inputs/fixed/downloads/10/10492.cif
_cod_data_source_block           10492
_cod_original_formula_sum        'Na Al Si2 O6'
_cod_database_code               9017273
High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 5.6 GPa
Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.; Physics and Chemistry of Minerals 41 (2014) 695–707; doi:

data_9017274
_publ_section_title
;
 High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor
 Note: P = 5.6 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              695
_journal_page_last               707
_journal_volume                  41
_journal_year                    2014
_chemical_compound_source
'Clear Creek, San Benito County, California, USA'
_chemical_formula_sum            'Al Na O6 Si2'
_chemical_name_mineral           Jadeite
_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                 107.14
_cell_angle_gamma                90
_cell_length_a                   9.300
_cell_length_b                   8.447
_cell_formula_units_Z            4
_cell_length_c                   5.157
_cell_volume                     387.127
_database_code_amcsd             0020194
_diffrn_ambient_pressure         5.6e+06
_exptl_crystal_density_diffrn    3.468
_cod_data_source_file            inputs/fixed/downloads/10/10493.cif
_cod_data_source_block           10493
_cod_original_formula_sum        'Na Al Si2 O6'
_cod_database_code               9017274
High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 8.2 GPa
Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.; Physics and Chemistry of Minerals 41 (2014) 695–707; doi:

data_9017275
_publ_section_title
;
 High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor
 Note: P = 8.2 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              695
_journal_page_last               707
_journal_volume                  41
_journal_year                    2014
_chemical_compound_source
'Clear Creek, San Benito County, California, USA'
_chemical_formula_sum            'Al Na O6 Si2'
_chemical_name_mineral           Jadeite
_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                 106.85
_cell_angle_gamma                90
_cell_length_a                   9.243
_cell_length_b                   8.407
_cell_formula_units_Z            4
_cell_length_c                   5.1220
_cell_volume                     380.922
_database_code_amcsd             0020195
_diffrn_ambient_pressure         8.2e+06
_exptl_crystal_density_diffrn    3.525
_cod_data_source_file            inputs/fixed/downloads/10/10494.cif
_cod_data_source_block           10494
_cod_original_formula_sum        'Na Al Si2 O6'
_cod_database_code               9017275
High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 12.4 GPa
Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.; Physics and Chemistry of Minerals 41 (2014) 695–707; doi:

data_9017276
_publ_section_title
;
 High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor
 Note: P = 12.4 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              695
_journal_page_last               707
_journal_volume                  41
_journal_year                    2014
_chemical_compound_source
'Clear Creek, San Benito County, California, USA'
_chemical_formula_sum            'Al Na O6 Si2'
_chemical_name_mineral           Jadeite
_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                 106.52
_cell_angle_gamma                90
_cell_length_a                   9.163
_cell_length_b                   8.340
_cell_formula_units_Z            4
_cell_length_c                   5.0739
_cell_volume                     371.739
_database_code_amcsd             0020196
_diffrn_ambient_pressure         1.24e+07
_exptl_crystal_density_diffrn    3.612
_cod_data_source_file            inputs/fixed/downloads/10/10495.cif
_cod_data_source_block           10495
_cod_original_formula_sum        'Na Al Si2 O6'
_cod_database_code               9017276
High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 18.3 GPa
Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.; Physics and Chemistry of Minerals 41 (2014) 695–707; doi:

data_9017277
_publ_section_title
;
 High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor
 Note: P = 18.3 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              695
_journal_page_last               707
_journal_volume                  41
_journal_year                    2014
_chemical_compound_source
'Clear Creek, San Benito County, California, USA'
_chemical_formula_sum            'Al Na O6 Si2'
_chemical_name_mineral           Jadeite
_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                 106.12
_cell_angle_gamma                90
_cell_length_a                   9.082
_cell_length_b                   8.200
_cell_formula_units_Z            4
_cell_length_c                   5.020
_cell_volume                     359.152
_database_code_amcsd             0020197
_diffrn_ambient_pressure         1.83e+07
_exptl_crystal_density_diffrn    3.738
_cod_data_source_file            inputs/fixed/downloads/10/10496.cif
_cod_data_source_block           10496
_cod_original_formula_sum        'Na Al Si2 O6'
_cod_database_code               9017277
High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor Note: P = 21.5 GPa
Posner, E. S.; Dera, P.; Downs, R. T.; Lazarz, J. D.; Irmen, P.; Physics and Chemistry of Minerals 41 (2014) 695–707; doi:

data_9017278
_publ_section_title
;
 High-pressure single-crystal X-ray diffraction study of jadeite and kosmochlor
 Note: P = 21.5 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              695
_journal_page_last               707
_journal_volume                  41
_journal_year                    2014
_chemical_compound_source
'Clear Creek, San Benito County, California, USA'
_chemical_formula_sum            'Al Na O6 Si2'
_chemical_name_mineral           Jadeite
_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                 106.02
_cell_angle_gamma                90
_cell_length_a                   9.034
_cell_length_b                   8.184
_cell_formula_units_Z            4
_cell_length_c                   4.9875
_cell_volume                     354.427
_database_code_amcsd             0020198
_diffrn_ambient_pressure         2.15e+07
_exptl_crystal_density_diffrn    3.788
_cod_data_source_file            inputs/fixed/downloads/10/10497.cif
_cod_data_source_block           10497
_cod_original_formula_sum        'Na Al Si2 O6'
_cod_database_code               9017278
Thermal behavior of polyhalite: a high-temperature synchrotron XRD study Note: T = 648 K
Xu, H.; Guo, X.; Bai, J.; Physics and Chemistry of Minerals 44 (2017) 125–135; doi:

data_9017279
_publ_section_title
;
 Thermal behavior of polyhalite: a high-temperature synchrotron XRD study
 Note: T = 648 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              125
_journal_page_last               135
_journal_volume                  44
_journal_year                    2017
_chemical_compound_source
'Salado formation at the WIPP site, Carlsbad, New Mexico, USA'
_chemical_formula_sum            'Ca O4 S'
_chemical_name_mineral           Anhydrite
_space_group_IT_number           63
_space_group_name_Hall           '-B 2b 2'
_space_group_name_H-M_alt        'B m m b'
_symmetry_space_group_name_H-M   'B m m b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.03276
_cell_length_b                   7.02381
_cell_length_c                   6.32712
_cell_formula_units_Z            4
_cell_volume                     312.539
_database_code_amcsd             0020860
_diffrn_ambient_temperature      648
_exptl_crystal_density_diffrn    2.893
_cod_data_source_file            inputs/fixed/downloads/10/10498.cif
_cod_data_source_block           10498
_cod_original_formula_sum        'Ca S O4'
_cod_database_code               9017279
On the labyrinthine world of arsenites: a single-crystal neutron and X-ray diffraction study of cafarsite Note: xray final province, Italy
Gatta, G. D.; Rotiroti, N.; Camara, F.; Meven, M.; Physics and Chemistry of Minerals 45 (2018) 819–829; doi:

data_9017280
_publ_section_title
;
 On the labyrinthine world of arsenites: a single-crystal neutron and
 X-ray diffraction study of cafarsite
 Note: xray final
 province, Italy
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              819
_journal_page_last               829
_journal_volume                  45
_journal_year                    2018
_chemical_compound_source
'Mount Leone-Arbola nappe, Alpe Devero area, Verbano-Cusio-Ossola'
_chemical_formula_sum            'As28 Ca16 F0.941 Fe7.536 Mn2 O84 Ti6'
_chemical_name_mineral           Cafarsite
_space_group_IT_number           201
_space_group_name_Hall           '-P 2ab 2bc 3'
_space_group_name_H-M_alt        'P n -3 :2'
_symmetry_space_group_name_H-M   'P n -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   15.9507
_cell_length_b                   15.9507
_cell_length_c                   15.9507
_cell_formula_units_Z            2
_cell_volume                     4058.254
_database_code_amcsd             0020738
_exptl_crystal_density_diffrn    4.025
_cod_data_source_file            inputs/fixed/downloads/10/10499.cif
_cod_data_source_block           10499
_cod_original_sg_symbol_H-M      'P n 3'
_cod_original_formula_sum        'As28 Ca16 Ti6 Fe7.536 Mn2 O84 F.941'
_cod_database_code               9017280
On the labyrinthine world of arsenites: a single-crystal neutron and X-ray diffraction study of cafarsite Note: neutron diffraction province, Italy
Gatta, G. D.; Rotiroti, N.; Camara, F.; Meven, M.; Physics and Chemistry of Minerals 45 (2018) 819–829; doi:

data_9017281
_publ_section_title
;
 On the labyrinthine world of arsenites: a single-crystal neutron and
 X-ray diffraction study of cafarsite
 Note: neutron diffraction
 province, Italy
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              819
_journal_page_last               829
_journal_volume                  45
_journal_year                    2018
_chemical_compound_source
'Mount Leone-Arbola nappe, Alpe Devero area, Verbano-Cusio-Ossola'
_chemical_formula_sum            'As28 Ca16 F Fe7.278 Mn1.94 O84 Ti5.31'
_chemical_name_mineral           Cafarsite
_space_group_IT_number           201
_space_group_name_Hall           '-P 2ab 2bc 3'
_space_group_name_H-M_alt        'P n -3 :2'
_symmetry_space_group_name_H-M   'P n -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   15.9507
_cell_length_b                   15.9507
_cell_length_c                   15.9507
_cell_formula_units_Z            2
_cell_volume                     4058.254
_database_code_amcsd             0020739
_exptl_crystal_density_diffrn    3.985
_cod_data_source_file            inputs/fixed/downloads/10/10500.cif
_cod_data_source_block           10500
_cod_original_sg_symbol_H-M      'P n 3'
_cod_original_formula_sum        'As28 Ca16 Ti5.31 Fe7.278 Mn1.94 O84 F'
_cod_database_code               9017281
On the labyrinthine world of arsenites: a single-crystal neutron and X-ray diffraction study of cafarsite Note: xraysplit final province, Italy
Gatta, G. D.; Rotiroti, N.; Camara, F.; Meven, M.; Physics and Chemistry of Minerals 45 (2018) 819–829; doi:

data_9017282
_publ_section_title
;
 On the labyrinthine world of arsenites: a single-crystal neutron and
 X-ray diffraction study of cafarsite
 Note: xraysplit final
 province, Italy
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              819
_journal_page_last               829
_journal_volume                  45
_journal_year                    2018
_chemical_compound_source
'Mount Leone-Arbola nappe, Alpe Devero area, Verbano-Cusio-Ossola'
_chemical_formula_sum            'As28 Ca16 F0.969 Fe7.506 Mn2 O84 Ti6'
_chemical_name_mineral           Cafarsite
_space_group_IT_number           201
_space_group_name_Hall           '-P 2ab 2bc 3'
_space_group_name_H-M_alt        'P n -3 :2'
_symmetry_space_group_name_H-M   'P n -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   15.9507
_cell_length_b                   15.9507
_cell_length_c                   15.9507
_cell_formula_units_Z            2
_cell_volume                     4058.254
_database_code_amcsd             0020740
_exptl_crystal_density_diffrn    4.024
_cod_data_source_file            inputs/fixed/downloads/10/10501.cif
_cod_data_source_block           10501
_cod_original_sg_symbol_H-M      'P n 3'
_cod_original_formula_sum        'As28 Ca16 Ti6 Fe7.506 Mn2 O84 F.969'
_cod_database_code               9017282
Site-selective As-P substitution and hydrogen bonding in the crystal structure of philipsburgite, Cu5Zn((As,P)O4)2(OH)6*H2O Note: T = 100 K
Krivovichev, S. V.; Zhitova, E. S.; Ismagilova, R. M.; Zolotarev, A. A.; Physics and Chemistry of Minerals 45 (2018) 917–923; doi:

data_9017283
_publ_section_title
;
 Site-selective As-P substitution and hydrogen bonding in the crystal structure
 of philipsburgite, Cu5Zn((As,P)O4)2(OH)6*H2O
 Note: T = 100 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              917
_journal_page_last               923
_journal_volume                  45
_journal_year                    2018
_chemical_compound_source
'Middle Pit, Gold Hill mine, Tooele Co., Utah, USA'
_chemical_formula_sum            'As1.628 Cu5 H8 O15 P0.372 Zn'
_chemical_name_mineral           Philipsburgite
_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                 97.10
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.385
_cell_length_b                   9.261
_cell_length_c                   10.770
_cell_volume                     1225.820
_database_code_amcsd             0020989
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    4.143
_cod_data_source_file            inputs/fixed/downloads/10/10502.cif
_cod_data_source_block           10502
_cod_original_formula_sum        'Cu5 Zn As1.628 P.372 O15 H8'
_cod_database_code               9017283
Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy). IV. Giacovazzoite, K5Fe3+3O(SO4)6(H2O)9*H2O, the natural analogue of the ß-Maus's salt and its dehydration product Note: T = 100 K
Biagioni, C.; Bindi, L.; Mauro, D.; Pasero, M.; Physics and Chemistry of Minerals 47 (2020) –7; doi:

data_9017284
_publ_section_title
;
 Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy).
 IV. Giacovazzoite, K5Fe3+3O(SO4)6(H2O)9*H2O, the natural analogue of the \&s-Maus's salt
 and its dehydration product
 Note: T = 100 K
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_last               7
_journal_volume                  47
_journal_year                    2020
_chemical_compound_source
'the Monte Arsiccio mine, Apuan Alps, Tuscany, Italy'
_chemical_formula_sum            'Fe3 H17 K5 O35 S6'
_chemical_name_mineral           Giacovazzoite
_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                 92.274
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.4480
_cell_length_b                   18.3183
_cell_length_c                   17.9825
_cell_volume                     3109.804
_database_code_amcsd             0020910
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    2.419
_cod_data_source_file            inputs/fixed/downloads/10/10503.cif
_cod_data_source_block           10503
_cod_original_formula_sum        'K5 Fe3 S6 O35 H17'
_cod_database_code               9017284