LMucko/crystallography-open-database huggingface dataset:
The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 3.83 GPa
Lavina, B.; Downs, R. T.; Sinogeikin, S.; Crystals 8 (2018) –289; doi:10.3390/cryst8070289

data_9017430
_publ_section_title
;
 The structure of ferroselite, FeSe2, at pressures up to 46 GPa
 and temperatures down to 50 K: A single-crystal micro-diffraction analysis
 Note: P = 3.83 GPa
;
_journal_name_full               Crystals
_journal_page_last               289
_journal_paper_doi               10.3390/cryst8070289
_journal_volume                  8
_journal_year                    2018
_chemical_compound_source
'Paradox Valley, Uravan District, Montrose County, Colorado, USA'
_chemical_formula_sum            'Fe Se2'
_chemical_name_mineral           Ferroselite
_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                   4.751
_cell_length_b                   5.729
_cell_length_c                   3.5467
_cell_formula_units_Z            2
_cell_volume                     96.536
_database_code_amcsd             0020711
_diffrn_ambient_pressure         3.83e+06
_exptl_crystal_density_diffrn    7.354
_cod_data_source_file            inputs/fixed/downloads/14/14902.cif
_cod_data_source_block           14902
_cod_database_code               9017430
The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 8.1 GPa
Lavina, B.; Downs, R. T.; Sinogeikin, S.; Crystals 8 (2018) –289; doi:10.3390/cryst8070289

data_9017431
_publ_section_title
;
 The structure of ferroselite, FeSe2, at pressures up to 46 GPa
 and temperatures down to 50 K: A single-crystal micro-diffraction analysis
 Note: P = 8.1 GPa
;
_journal_name_full               Crystals
_journal_page_last               289
_journal_paper_doi               10.3390/cryst8070289
_journal_volume                  8
_journal_year                    2018
_chemical_compound_source
'Paradox Valley, Uravan District, Montrose County, Colorado, USA'
_chemical_formula_sum            'Fe Se2'
_chemical_name_mineral           Ferroselite
_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                   4.698
_cell_length_b                   5.667
_cell_length_c                   3.5088
_cell_formula_units_Z            2
_cell_volume                     93.417
_database_code_amcsd             0020712
_diffrn_ambient_pressure         8.1e+06
_exptl_crystal_density_diffrn    7.600
_cod_data_source_file            inputs/fixed/downloads/14/14903.cif
_cod_data_source_block           14903
_cod_database_code               9017431
The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 17.3 GPa
Lavina, B.; Downs, R. T.; Sinogeikin, S.; Crystals 8 (2018) –289; doi:10.3390/cryst8070289

data_9017432
_publ_section_title
;
 The structure of ferroselite, FeSe2, at pressures up to 46 GPa
 and temperatures down to 50 K: A single-crystal micro-diffraction analysis
 Note: P = 17.3 GPa
;
_journal_name_full               Crystals
_journal_page_last               289
_journal_paper_doi               10.3390/cryst8070289
_journal_volume                  8
_journal_year                    2018
_chemical_compound_source
'Paradox Valley, Uravan District, Montrose County, Colorado, USA'
_chemical_formula_sum            'Fe Se2'
_chemical_name_mineral           Ferroselite
_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                   4.603
_cell_length_b                   5.581
_cell_length_c                   3.4492
_cell_formula_units_Z            2
_cell_volume                     88.608
_database_code_amcsd             0020713
_diffrn_ambient_pressure         1.73e+07
_exptl_crystal_density_diffrn    8.012
_cod_data_source_file            inputs/fixed/downloads/14/14904.cif
_cod_data_source_block           14904
_cod_database_code               9017432
The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 24.4 GPa
Lavina, B.; Downs, R. T.; Sinogeikin, S.; Crystals 8 (2018) –289; doi:10.3390/cryst8070289

data_9017433
_publ_section_title
;
 The structure of ferroselite, FeSe2, at pressures up to 46 GPa
 and temperatures down to 50 K: A single-crystal micro-diffraction analysis
 Note: P = 24.4 GPa
;
_journal_name_full               Crystals
_journal_page_last               289
_journal_paper_doi               10.3390/cryst8070289
_journal_volume                  8
_journal_year                    2018
_chemical_compound_source
'Paradox Valley, Uravan District, Montrose County, Colorado, USA'
_chemical_formula_sum            'Fe Se2'
_chemical_name_mineral           Ferroselite
_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                   4.555
_cell_length_b                   5.524
_cell_length_c                   3.4090
_cell_formula_units_Z            2
_cell_volume                     85.777
_database_code_amcsd             0020714
_diffrn_ambient_pressure         2.44e+07
_exptl_crystal_density_diffrn    8.277
_cod_data_source_file            inputs/fixed/downloads/14/14905.cif
_cod_data_source_block           14905
_cod_database_code               9017433
The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 32 GPa
Lavina, B.; Downs, R. T.; Sinogeikin, S.; Crystals 8 (2018) –289; doi:10.3390/cryst8070289

data_9017434
_publ_section_title
;
 The structure of ferroselite, FeSe2, at pressures up to 46 GPa
 and temperatures down to 50 K: A single-crystal micro-diffraction analysis
 Note: P = 32 GPa
;
_journal_name_full               Crystals
_journal_page_last               289
_journal_paper_doi               10.3390/cryst8070289
_journal_volume                  8
_journal_year                    2018
_chemical_compound_source
'Paradox Valley, Uravan District, Montrose County, Colorado, USA'
_chemical_formula_sum            'Fe Se2'
_chemical_name_mineral           Ferroselite
_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                   4.488
_cell_length_b                   5.471
_cell_length_c                   3.3734
_cell_formula_units_Z            2
_cell_volume                     82.830
_database_code_amcsd             0020715
_diffrn_ambient_pressure         3.2e+07
_exptl_crystal_density_diffrn    8.571
_cod_data_source_file            inputs/fixed/downloads/14/14906.cif
_cod_data_source_block           14906
_cod_database_code               9017434
The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: P = 46 GPa
Lavina, B.; Downs, R. T.; Sinogeikin, S.; Crystals 8 (2018) –289; doi:10.3390/cryst8070289

data_9017435
_publ_section_title
;
 The structure of ferroselite, FeSe2, at pressures up to 46 GPa
 and temperatures down to 50 K: A single-crystal micro-diffraction analysis
 Note: P = 46 GPa
;
_journal_name_full               Crystals
_journal_page_last               289
_journal_paper_doi               10.3390/cryst8070289
_journal_volume                  8
_journal_year                    2018
_chemical_compound_source
'Paradox Valley, Uravan District, Montrose County, Colorado, USA'
_chemical_formula_sum            'Fe Se2'
_chemical_name_mineral           Ferroselite
_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                   4.404
_cell_length_b                   5.391
_cell_length_c                   3.3185
_cell_formula_units_Z            2
_cell_volume                     78.788
_database_code_amcsd             0020716
_diffrn_ambient_pressure         4.6e+07
_exptl_crystal_density_diffrn    9.011
_cod_data_source_file            inputs/fixed/downloads/14/14907.cif
_cod_data_source_block           14907
_cod_database_code               9017435
The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 198.2 K, P = 0.0001 GPa
Lavina, B.; Downs, R. T.; Sinogeikin, S.; Crystals 8 (2018) –289; doi:10.3390/cryst8070289

data_9017436
_publ_section_title
;
 The structure of ferroselite, FeSe2, at pressures up to 46 GPa
 and temperatures down to 50 K: A single-crystal micro-diffraction analysis
 Note: T = 198.2 K, P = 0.0001 GPa
;
_journal_name_full               Crystals
_journal_page_last               289
_journal_paper_doi               10.3390/cryst8070289
_journal_volume                  8
_journal_year                    2018
_chemical_compound_source
'Paradox Valley, Uravan District, Montrose County, Colorado, USA'
_chemical_formula_sum            'Fe Se2'
_chemical_name_mineral           Ferroselite
_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                   4.7885
_cell_length_b                   5.7782
_cell_length_c                   3.5821
_cell_formula_units_Z            2
_cell_volume                     99.113
_database_code_amcsd             0020717
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      198.2
_exptl_crystal_density_diffrn    7.163
_cod_data_source_file            inputs/fixed/downloads/14/14908.cif
_cod_data_source_block           14908
_cod_database_code               9017436
The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 148.4 K, P = 0.0001 GPa
Lavina, B.; Downs, R. T.; Sinogeikin, S.; Crystals 8 (2018) –289; doi:10.3390/cryst8070289

data_9017437
_publ_section_title
;
 The structure of ferroselite, FeSe2, at pressures up to 46 GPa
 and temperatures down to 50 K: A single-crystal micro-diffraction analysis
 Note: T = 148.4 K, P = 0.0001 GPa
;
_journal_name_full               Crystals
_journal_page_last               289
_journal_paper_doi               10.3390/cryst8070289
_journal_volume                  8
_journal_year                    2018
_chemical_compound_source
'Paradox Valley, Uravan District, Montrose County, Colorado, USA'
_chemical_formula_sum            'Fe Se2'
_chemical_name_mineral           Ferroselite
_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                   4.7893
_cell_length_b                   5.7775
_cell_length_c                   3.5795
_cell_formula_units_Z            2
_cell_volume                     99.045
_database_code_amcsd             0020718
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      148.4
_exptl_crystal_density_diffrn    7.168
_cod_data_source_file            inputs/fixed/downloads/14/14909.cif
_cod_data_source_block           14909
_cod_database_code               9017437
The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 50.4 K, P = 0.0001 GPa
Lavina, B.; Downs, R. T.; Sinogeikin, S.; Crystals 8 (2018) –289; doi:10.3390/cryst8070289

data_9017438
_publ_section_title
;
 The structure of ferroselite, FeSe2, at pressures up to 46 GPa
 and temperatures down to 50 K: A single-crystal micro-diffraction analysis
 Note: T = 50.4 K, P = 0.0001 GPa
;
_journal_name_full               Crystals
_journal_page_last               289
_journal_paper_doi               10.3390/cryst8070289
_journal_volume                  8
_journal_year                    2018
_chemical_compound_source
'Paradox Valley, Uravan District, Montrose County, Colorado, USA'
_chemical_formula_sum            'Fe Se2'
_chemical_name_mineral           Ferroselite
_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                   4.7834
_cell_length_b                   5.7767
_cell_length_c                   3.5789
_cell_formula_units_Z            2
_cell_volume                     98.893
_database_code_amcsd             0020719
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      50.4
_exptl_crystal_density_diffrn    7.179
_cod_data_source_file            inputs/fixed/downloads/14/14910.cif
_cod_data_source_block           14910
_cod_database_code               9017438
The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 197 K, P = 3.68 GPa
Lavina, B.; Downs, R. T.; Sinogeikin, S.; Crystals 8 (2018) –289; doi:10.3390/cryst8070289

data_9017439
_publ_section_title
;
 The structure of ferroselite, FeSe2, at pressures up to 46 GPa
 and temperatures down to 50 K: A single-crystal micro-diffraction analysis
 Note: T = 197 K, P = 3.68 GPa
;
_journal_name_full               Crystals
_journal_page_last               289
_journal_paper_doi               10.3390/cryst8070289
_journal_volume                  8
_journal_year                    2018
_chemical_compound_source
'Paradox Valley, Uravan District, Montrose County, Colorado, USA'
_chemical_formula_sum            'Fe Se2'
_chemical_name_mineral           Ferroselite
_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                   4.751
_cell_length_b                   5.723
_cell_length_c                   3.5501
_cell_formula_units_Z            2
_cell_volume                     96.527
_database_code_amcsd             0020720
_diffrn_ambient_pressure         3.68e+06
_diffrn_ambient_temperature      197
_exptl_crystal_density_diffrn    7.355
_cod_data_source_file            inputs/fixed/downloads/14/14911.cif
_cod_data_source_block           14911
_cod_database_code               9017439
The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K: A single-crystal micro-diffraction analysis Note: T = 116 K, P = 3.64 GPa
Lavina, B.; Downs, R. T.; Sinogeikin, S.; Crystals 8 (2018) –289; doi:10.3390/cryst8070289

data_9017440
_publ_section_title
;
 The structure of ferroselite, FeSe2, at pressures up to 46 GPa
 and temperatures down to 50 K: A single-crystal micro-diffraction analysis
 Note: T = 116 K, P = 3.64 GPa
;
_journal_name_full               Crystals
_journal_page_last               289
_journal_paper_doi               10.3390/cryst8070289
_journal_volume                  8
_journal_year                    2018
_chemical_compound_source
'Paradox Valley, Uravan District, Montrose County, Colorado, USA'
_chemical_formula_sum            'Fe Se2'
_chemical_name_mineral           Ferroselite
_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                   4.7446
_cell_length_b                   5.772
_cell_length_c                   3.5512
_cell_formula_units_Z            2
_cell_volume                     97.253
_database_code_amcsd             0020721
_diffrn_ambient_pressure         3.64e+06
_diffrn_ambient_temperature      116
_exptl_crystal_density_diffrn    7.300
_cod_data_source_file            inputs/fixed/downloads/14/14912.cif
_cod_data_source_block           14912
_cod_database_code               9017440
The structure of tavorite LiFePO4(OH) from diffraction and GGA + U studies and its preliminary electrochemical characterization
Marx, N.; Croguennec, L.; Carlier, D.; Wattiaux, A.; Le Cras, F.; Suard, E.; Delmas, C.; Dalton Transactions 39 (2010) 5108–5116; doi:

data_9017441
_publ_section_title
;
 The structure of tavorite LiFePO4(OH) from diffraction and GGA + U
 studies and its preliminary electrochemical characterization
;
_journal_name_full               'Dalton Transactions'
_journal_page_first              5108
_journal_page_last               5116
_journal_volume                  39
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe H Li O5 P'
_chemical_name_mineral           Tavorite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                109.359
_cell_angle_beta                 97.733
_cell_angle_gamma                106.359
_cell_length_a                   5.3528
_cell_length_b                   7.2896
_cell_length_c                   5.1187
_cell_formula_units_Z            2
_cell_volume                     174.984
_database_code_amcsd             0020848
_exptl_crystal_density_diffrn    3.317
_cod_data_source_file            inputs/fixed/downloads/14/14915.cif
_cod_data_source_block           14915
_cod_original_formula_sum        'Li Fe P O5 H'
_cod_database_code               9017441
Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample ORMA, X-Ray diffraction
Gering, E.; Dissertation Kernforshungszentrum Karlsruhe 1 (1985) 1–97; doi:

data_9017442
_publ_section_title
;
 Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen
 Note: Sample ORMA, X-Ray diffraction
;
_journal_name_full               'Dissertation Kernforshungszentrum Karlsruhe'
_journal_page_first              1
_journal_page_last               97
_journal_volume                  1
_journal_year                    1985
_chemical_compound_source        Madagascar
_chemical_formula_sum            'Al K O8 Si3'
_chemical_name_mineral           Orthoclase
_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                 116.02
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.578
_cell_length_b                   12.978
_cell_length_c                   7.204
_cell_volume                     720.699
_database_code_amcsd             0020546
_exptl_crystal_density_diffrn    2.565
_cod_data_source_file            inputs/fixed/downloads/14/14932.cif
_cod_data_source_block           14932
_cod_original_formula_sum        'K (Si3 Al) O8'
_cod_database_code               9017442
Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SVG1, neutron diffraction
Gering, E.; Dissertation Kernforshungszentrum Karlsruhe 1 (1985) 1–97; doi:

data_9017443
_publ_section_title
;
 Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen
 Note: Sample SVG1, neutron diffraction
;
_journal_name_full               'Dissertation Kernforshungszentrum Karlsruhe'
_journal_page_first              1
_journal_page_last               97
_journal_volume                  1
_journal_year                    1985
_chemical_compound_source        Madagascar
_chemical_formula_sum            'Al K O8 Si3'
_chemical_name_mineral           Sanidine
_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                 115.99
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.543
_cell_length_b                   13.019
_cell_length_c                   7.183
_cell_volume                     718.110
_database_code_amcsd             0020570
_exptl_crystal_density_diffrn    2.574
_cod_data_source_file            inputs/fixed/downloads/14/14933.cif
_cod_data_source_block           14933
_cod_original_formula_sum        'K (Si3 Al) O8'
_cod_database_code               9017443
Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen Note: Sample SAGA, X-ray diffraction
Gering, E.; Dissertation Kernforshungszentrum Karlsruhe 1 (1985) 1–97; doi:

data_9017444
_publ_section_title
;
 Silizium/Aluminium-Ordnung und Kristallperfektion von Sanidinen
 Note: Sample SAGA, X-ray diffraction
;
_journal_name_full               'Dissertation Kernforshungszentrum Karlsruhe'
_journal_page_first              1
_journal_page_last               97
_journal_volume                  1
_journal_year                    1985
_chemical_compound_source        Madagascar
_chemical_formula_sum            'Al K O8 Si3'
_chemical_name_mineral           Sanidine
_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                 115.99
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.543
_cell_length_b                   13.019
_cell_length_c                   7.183
_cell_volume                     718.110
_database_code_amcsd             0020571
_exptl_crystal_density_diffrn    2.574
_cod_data_source_file            inputs/fixed/downloads/14/14934.cif
_cod_data_source_block           14934
_cod_original_formula_sum        'K (Si3 Al) O8'
_cod_database_code               9017444