LMucko/crystallography-open-database huggingface dataset:
Light-induced changes in molecular arsenic sulfides: State of the art and new evidence by single-crystal X-ray diffraction Sample: B2-840, light exposure for t = 840 minutes Note: beta-As4S4 - alacranite series
Bonazzi, P.; Bindi, L.; Pratesi, G.; Menchetti, S.; American Mineralogist 91 (2006) 1323–1330; doi:10.2138/am.2006.2165

data_9010098
_publ_section_title
;
 Light-induced changes in molecular arsenic sulfides: State of the art and
 new evidence by single-crystal X-ray diffraction
 Sample: B2-840, light exposure for t = 840 minutes
 Note: beta-As4S4 - alacranite series
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1323
_journal_page_last               1330
_journal_paper_doi               10.2138/am.2006.2165
_journal_volume                  91
_journal_year                    2006
_chemical_formula_structural     As8S8.44
_chemical_formula_sum            'As2 S2.11'
_chemical_name_mineral           Bonazziite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.36
_cell_angle_gamma                90
_cell_length_a                   9.831
_cell_length_b                   9.444
_cell_length_c                   8.986
_cell_formula_units_Z            8
_cell_volume                     817.951
_database_code_amcsd             0004219
_exptl_crystal_density_diffrn    3.532
_cod_database_code               9010098
Light-induced changes in molecular arsenic sulfides: State of the art and new evidence by single-crystal X-ray diffraction Sample: ALA16-0 Note: beta-As4S4 - alacranite series
Bonazzi, P.; Bindi, L.; Pratesi, G.; Menchetti, S.; American Mineralogist 91 (2006) 1323–1330; doi:10.2138/am.2006.2165

data_9010099
_publ_section_title
;
 Light-induced changes in molecular arsenic sulfides: State of the art and
 new evidence by single-crystal X-ray diffraction
 Sample: ALA16-0
 Note: beta-As4S4 - alacranite series
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1323
_journal_page_last               1330
_journal_paper_doi               10.2138/am.2006.2165
_journal_volume                  91
_journal_year                    2006
_chemical_formula_structural     As8S8.262
_chemical_formula_sum            'As2 S2.066'
_chemical_name_mineral           Bonazziite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.41
_cell_angle_gamma                90
_cell_length_a                   9.963
_cell_length_b                   9.323
_cell_length_c                   8.962
_cell_formula_units_Z            8
_cell_volume                     812.986
_database_code_amcsd             0004220
_exptl_crystal_density_diffrn    3.531
_cod_database_code               9010099
Light-induced changes in molecular arsenic sulfides: State of the art and new evidence by single-crystal X-ray diffraction Sample: ALA16-1800, light exposure for t = 1800 minutes Note: beta-As4S4 - alacranite series
Bonazzi, P.; Bindi, L.; Pratesi, G.; Menchetti, S.; American Mineralogist 91 (2006) 1323–1330; doi:10.2138/am.2006.2165

data_9010100
_publ_section_title
;
 Light-induced changes in molecular arsenic sulfides: State of the art and
 new evidence by single-crystal X-ray diffraction
 Sample: ALA16-1800, light exposure for t = 1800 minutes
 Note: beta-As4S4 - alacranite series
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1323
_journal_page_last               1330
_journal_paper_doi               10.2138/am.2006.2165
_journal_volume                  91
_journal_year                    2006
_chemical_formula_structural     As8S8.62
_chemical_formula_sum            'As2 S2.155'
_chemical_name_mineral           Bonazziite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.25
_cell_angle_gamma                90
_cell_length_a                   9.862
_cell_length_b                   9.438
_cell_length_c                   9.078
_cell_formula_units_Z            8
_cell_volume                     828.722
_database_code_amcsd             0004221
_exptl_crystal_density_diffrn    3.510
_cod_database_code               9010100
Light-induced changes in molecular arsenic sulfides: State of the art and new evidence by single-crystal X-ray diffraction Sample: ALA15-600, light exposure for t = 600 minutes Note: beta-As4S4 - alacranite series
Bonazzi, P.; Bindi, L.; Pratesi, G.; Menchetti, S.; American Mineralogist 91 (2006) 1323–1330; doi:10.2138/am.2006.2165

data_9010101
_publ_section_title
;
 Light-induced changes in molecular arsenic sulfides: State of the art and
 new evidence by single-crystal X-ray diffraction
 Sample: ALA15-600, light exposure for t = 600 minutes
 Note: beta-As4S4 - alacranite series
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1323
_journal_page_last               1330
_journal_paper_doi               10.2138/am.2006.2165
_journal_volume                  91
_journal_year                    2006
_chemical_formula_structural     As8S8.76
_chemical_formula_sum            'As2 S2.19'
_chemical_name_mineral           Bonazziite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.32
_cell_angle_gamma                90
_cell_length_a                   9.885
_cell_length_b                   9.446
_cell_length_c                   9.118
_cell_formula_units_Z            8
_cell_volume                     834.819
_database_code_amcsd             0004222
_exptl_crystal_density_diffrn    3.502
_cod_database_code               9010101
Crystal chemistry and polytypism of tyrolite Sample: Brixlegg, Schwaz, Tyrol, Austria Note: Tyrolite-1M polytype
Krivovichev, S. V.; Chernyshov, D. Y.; Dobelin, N.; Armbruster, T.; Kahlenberg, V.; Kaindl, R.; Tessadri, R.; Kaltenhauser, G.; American Mineralogist 91 (2006) 1378–1384; doi:10.2138/am.2006.2040

data_9010102
_publ_section_title
;
 Crystal chemistry and polytypism of tyrolite
 Sample: Brixlegg, Schwaz, Tyrol, Austria
 Note: Tyrolite-1M polytype
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1378
_journal_page_last               1384
_journal_paper_doi               10.2138/am.2006.2040
_journal_volume                  91
_journal_year                    2006
_chemical_formula_sum            'C0.76 H24.4 As4 Ca2 Cu9 O38'
_chemical_name_mineral           Tyrolite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.074
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   27.562
_cell_length_b                   5.5682
_cell_length_c                   10.4662
_cell_volume                     1590.333
_database_code_amcsd             0004223
_exptl_crystal_density_diffrn    3.328
_cod_original_formula_sum        'Ca2 Cu9 As4 O38 C.76 H24.4'
_cod_database_code               9010102
Crystal chemistry and polytypism of tyrolite Sample: Brixlegg, Schwaz, Tyrol, Austria Note: Tyrolite-2M polytype
Krivovichev, S. V.; Chernyshov, D. Y.; Dobelin, N.; Armbruster, T.; Kahlenberg, V.; Kaindl, R.; Tessadri, R.; Kaltenhauser, G.; American Mineralogist 91 (2006) 1378–1384; doi:10.2138/am.2006.2040

data_9010103
_publ_section_title
;
 Crystal chemistry and polytypism of tyrolite
 Sample: Brixlegg, Schwaz, Tyrol, Austria
 Note: Tyrolite-2M polytype
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1378
_journal_page_last               1384
_journal_paper_doi               10.2138/am.2006.2040
_journal_volume                  91
_journal_year                    2006
_chemical_formula_sum            'As4 Ca2 Cu9 H23.92 O38.42'
_chemical_name_mineral           Tyrolite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.432
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   54.520
_cell_length_b                   5.5638
_cell_length_c                   10.4647
_cell_volume                     3154.364
_database_code_amcsd             0004224
_exptl_crystal_density_diffrn    3.349
_cod_original_formula_sum        'Ca2 Cu9 As4 O38.42 H23.92'
_cod_database_code               9010103
Stornesite-(Y), (Y, Ca)Vacancy2Na6(Ca,Na)8(Mg,Fe)43(PO4)36, the first terrestrial Mg-dominant member of the fillowite group, from granulite-facies paragneiss in the Larsemann Hills, Prydz Bay, East Antarctica Note: Isostructural with chladniite
Grew, E. S.; Armbruster, T.; Medenbach, O.; Yates, M. G.; Carson, C. J.; American Mineralogist 91 (2006) 1412–1424; doi:10.2138/am.2006.2219

data_9010104
_publ_section_title
;
 Stornesite-(Y), (Y, Ca)Vacancy2Na6(Ca,Na)8(Mg,Fe)43(PO4)36, the first
 terrestrial Mg-dominant member of the fillowite group, from granulite-facies
 paragneiss in the Larsemann Hills, Prydz Bay, East Antarctica
 Note: Isostructural with chladniite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1412
_journal_page_last               1424
_journal_paper_doi               10.2138/am.2006.2219
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        'Larsemann Hills, Prydz Bay, East Antarctica'
_chemical_formula_sum
'Ca5.107 Fe11.19 Mg31.81 Na9.282 O144 P36 Y0.677 Yb0.06'
_chemical_name_mineral           Stornesite-(Y)
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   14.9628
_cell_length_b                   14.9628
_cell_length_c                   42.756
_cell_formula_units_Z            3
_cell_volume                     8289.979
_database_code_amcsd             0004225
_exptl_crystal_density_diffrn    3.188
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum
'Y.677 Ca5.107 Yb.06 Na9.282 Mg31.81 Fe11.19 P36 O144'
_cod_database_code               9010104
A neutron powder diffraction study of Fe and Ni distributions in synthetic pentlandite and violarite using 60Ni isotope Sample: T = 25 C after annealing at 150 C for 1 month
Tenailleau, C.; Etschmann, B.; Ibberson, R. M.; Pring, A.; American Mineralogist 91 (2006) 1442–1447; doi:10.2138/am.2006.2144

data_9010105
_publ_section_title
;
 A neutron powder diffraction study of Fe and Ni distributions in synthetic
 pentlandite and violarite using 60Ni isotope
 Sample: T = 25 C after annealing at 150 C for 1 month
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1442
_journal_page_last               1447
_journal_paper_doi               10.2138/am.2006.2144
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe4.75 Ni4.25 S8'
_chemical_name_mineral           Pentlandite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.1075
_cell_length_b                   10.1075
_cell_length_c                   10.1075
_cell_formula_units_Z            4
_cell_volume                     1032.598
_database_code_amcsd             0004226
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    4.961
_exptl_crystal_thermal_history   'after annealing at 150 C for 1 month'
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        '(Ni4.25 Fe4.75) S8'
_cod_database_code               9010105
A neutron powder diffraction study of Fe and Ni distributions in synthetic pentlandite and violarite using 60Ni isotope Sample: T = 225 C
Tenailleau, C.; Etschmann, B.; Ibberson, R. M.; Pring, A.; American Mineralogist 91 (2006) 1442–1447; doi:10.2138/am.2006.2144

data_9010106
_publ_section_title
;
 A neutron powder diffraction study of Fe and Ni distributions in synthetic
 pentlandite and violarite using 60Ni isotope
 Sample: T = 225 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1442
_journal_page_last               1447
_journal_paper_doi               10.2138/am.2006.2144
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe4.74 Ni4.26 S8'
_chemical_name_mineral           Pentlandite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.2045
_cell_length_b                   10.2045
_cell_length_c                   10.2045
_cell_formula_units_Z            4
_cell_volume                     1062.613
_database_code_amcsd             0004227
_diffrn_ambient_temperature      498.15
_exptl_crystal_density_diffrn    4.821
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        '(Ni4.26 Fe4.74) S8'
_cod_database_code               9010106
A neutron powder diffraction study of Fe and Ni distributions in synthetic pentlandite and violarite using 60Ni isotope Sample: T = 300 C
Tenailleau, C.; Etschmann, B.; Ibberson, R. M.; Pring, A.; American Mineralogist 91 (2006) 1442–1447; doi:10.2138/am.2006.2144

data_9010107
_publ_section_title
;
 A neutron powder diffraction study of Fe and Ni distributions in synthetic
 pentlandite and violarite using 60Ni isotope
 Sample: T = 300 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1442
_journal_page_last               1447
_journal_paper_doi               10.2138/am.2006.2144
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe4.82 Ni4.18 S8'
_chemical_name_mineral           Pentlandite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.2349
_cell_length_b                   10.2349
_cell_length_c                   10.2349
_cell_formula_units_Z            4
_cell_volume                     1072.138
_database_code_amcsd             0004228
_diffrn_ambient_temperature      573.15
_exptl_crystal_density_diffrn    4.777
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        '(Ni4.18 Fe4.82) S8'
_cod_database_code               9010107
A neutron powder diffraction study of Fe and Ni distributions in synthetic pentlandite and violarite using 60Ni isotope Sample: T = 25 C, annealed at 150 C for t = 2 months after high-T expirement
Tenailleau, C.; Etschmann, B.; Ibberson, R. M.; Pring, A.; American Mineralogist 91 (2006) 1442–1447; doi:10.2138/am.2006.2144

data_9010108
_publ_section_title
;
 A neutron powder diffraction study of Fe and Ni distributions in synthetic
 pentlandite and violarite using 60Ni isotope
 Sample: T = 25 C, annealed at 150 C for t = 2 months after high-T expirement
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1442
_journal_page_last               1447
_journal_paper_doi               10.2138/am.2006.2144
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe4.64 Ni4.36 S8'
_chemical_name_mineral           Pentlandite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.1296
_cell_length_b                   10.1296
_cell_length_c                   10.1296
_cell_formula_units_Z            4
_cell_volume                     1039.386
_database_code_amcsd             0004229
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    4.931
_exptl_crystal_thermal_history   'annealed at 150 C for t = 2 months'
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        '(Ni4.36 Fe4.64) S8'
_cod_database_code               9010108
A neutron powder diffraction study of Fe and Ni distributions in synthetic pentlandite and violarite using 60Ni isotope Sample: T = 25 C
Tenailleau, C.; Etschmann, B.; Ibberson, R. M.; Pring, A.; American Mineralogist 91 (2006) 1442–1447; doi:10.2138/am.2006.2144

data_9010109
_publ_section_title
;
 A neutron powder diffraction study of Fe and Ni distributions in synthetic
 pentlandite and violarite using 60Ni isotope
 Sample: T = 25 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1442
_journal_page_last               1447
_journal_paper_doi               10.2138/am.2006.2144
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe0.95 Ni2.05 S4'
_chemical_name_mineral           Violarite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_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                   9.4424
_cell_length_b                   9.4424
_cell_length_c                   9.4424
_cell_formula_units_Z            8
_cell_volume                     841.874
_database_code_amcsd             0004230
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    4.760
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ni2.05 Fe.95) S4'
_cod_database_code               9010109
A neutron powder diffraction study of Fe and Ni distributions in synthetic pentlandite and violarite using 60Ni isotope Sample: T = 75 C
Tenailleau, C.; Etschmann, B.; Ibberson, R. M.; Pring, A.; American Mineralogist 91 (2006) 1442–1447; doi:10.2138/am.2006.2144

data_9010110
_publ_section_title
;
 A neutron powder diffraction study of Fe and Ni distributions in synthetic
 pentlandite and violarite using 60Ni isotope
 Sample: T = 75 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1442
_journal_page_last               1447
_journal_paper_doi               10.2138/am.2006.2144
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe1.03 Ni1.97 S4'
_chemical_name_mineral           Violarite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_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                   9.4452
_cell_length_b                   9.4452
_cell_length_c                   9.4452
_cell_formula_units_Z            8
_cell_volume                     842.623
_database_code_amcsd             0004231
_diffrn_ambient_temperature      348.15
_exptl_crystal_density_diffrn    4.752
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ni1.97 Fe1.03) S4'
_cod_database_code               9010110
A neutron powder diffraction study of Fe and Ni distributions in synthetic pentlandite and violarite using 60Ni isotope Sample: T = 150 C
Tenailleau, C.; Etschmann, B.; Ibberson, R. M.; Pring, A.; American Mineralogist 91 (2006) 1442–1447; doi:10.2138/am.2006.2144

data_9010111
_publ_section_title
;
 A neutron powder diffraction study of Fe and Ni distributions in synthetic
 pentlandite and violarite using 60Ni isotope
 Sample: T = 150 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1442
_journal_page_last               1447
_journal_paper_doi               10.2138/am.2006.2144
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe0.84 Ni2.16 S4'
_chemical_name_mineral           Violarite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_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                   9.4612
_cell_length_b                   9.4612
_cell_length_c                   9.4612
_cell_formula_units_Z            8
_cell_volume                     846.913
_database_code_amcsd             0004232
_diffrn_ambient_temperature      423.15
_exptl_crystal_density_diffrn    4.736
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ni2.16 Fe.84) S4'
_cod_database_code               9010111
A neutron powder diffraction study of Fe and Ni distributions in synthetic pentlandite and violarite using 60Ni isotope Sample: T = 225 C
Tenailleau, C.; Etschmann, B.; Ibberson, R. M.; Pring, A.; American Mineralogist 91 (2006) 1442–1447; doi:10.2138/am.2006.2144

data_9010112
_publ_section_title
;
 A neutron powder diffraction study of Fe and Ni distributions in synthetic
 pentlandite and violarite using 60Ni isotope
 Sample: T = 225 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1442
_journal_page_last               1447
_journal_paper_doi               10.2138/am.2006.2144
_journal_volume                  91
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe0.99 Ni2.01 S4'
_chemical_name_mineral           Violarite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_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                   9.4709
_cell_length_b                   9.4709
_cell_length_c                   9.4709
_cell_formula_units_Z            8
_cell_volume                     849.520
_database_code_amcsd             0004233
_diffrn_ambient_temperature      498.15
_exptl_crystal_density_diffrn    4.715
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Ni2.01 Fe.99) S4'
_cod_database_code               9010112