LMucko/crystallography-open-database huggingface dataset:
Structures and phase transitions of the A7PSe6 (A = Ag, Cu) argyrodite-type ionic conductors. II. beta- and gamma-Cu7PSe6 Note: T = 293 K
Gaudin, E.; Boucher, F.; Petricek, V.; Taulelle, F.; Evain, M.; Acta Crystallographica, Section B 56 (2000) 402–408; doi:10.1107/S0108768199016614

data_9007699
_publ_section_title
;
 Structures and phase transitions of the A7PSe6 (A = Ag, Cu) argyrodite-type
 ionic conductors. II. beta- and gamma-Cu7PSe6
 Note: T = 293 K
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              402
_journal_page_last               408
_journal_paper_doi               10.1107/S0108768199016614
_journal_volume                  56
_journal_year                    2000
_chemical_formula_sum            'Cu7 P Se6'
_chemical_name_common            beta-Cu7PSe6
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.1080
_cell_length_b                   10.1080
_cell_length_c                   10.1080
_cell_formula_units_Z            4
_cell_volume                     1032.751
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    6.107
_cod_original_formula_sum        'P Se6 Cu7'
_cod_database_code               9007699
_cod_duplicate_entry 2102082
Structures and phase transitions of the A7PSe6 (A = Ag, Cu) argyrodite-type ionic conductors. II. beta- and gamma-Cu7PSe6 Note: T = 353 K
Gaudin, E.; Boucher, F.; Petricek, V.; Taulelle, F.; Evain, M.; Acta Crystallographica, Section B 56 (2000) 402–408; doi:10.1107/S0108768199016614

data_9007700
_publ_section_title
;
 Structures and phase transitions of the A7PSe6 (A = Ag, Cu) argyrodite-type
 ionic conductors. II. beta- and gamma-Cu7PSe6
 Note: T = 353 K
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              402
_journal_page_last               408
_journal_paper_doi               10.1107/S0108768199016614
_journal_volume                  56
_journal_year                    2000
_chemical_formula_sum            'Cu6.996 P Se6'
_chemical_name_common            gamma-Cu7PSe6
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.1130
_cell_length_b                   10.1130
_cell_length_c                   10.1130
_cell_formula_units_Z            4
_cell_volume                     1034.285
_diffrn_ambient_temperature      353
_exptl_crystal_density_diffrn    6.096
_cod_original_cell_volume        1034.284
_cod_original_formula_sum        'P Se6 Cu6.996'
_cod_database_code               9007700
_cod_duplicate_entry 2102083
Atomic displacement parameters for spessartine Mn3Al2Si3O12 and their lattice-dynamical interpretation
Gramaccioli, C. M.; Pilati, T.; Demartin, F.; Acta Crystallographica, Section B 58 (2002) 965–969; doi:10.1107/S0108768102017925

data_9007701
_publ_section_title
;
 Atomic displacement parameters for spessartine Mn3Al2Si3O12
 and their lattice-dynamical interpretation
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              965
_journal_page_last               969
_journal_paper_doi               10.1107/S0108768102017925
_journal_volume                  58
_journal_year                    2002
_chemical_compound_source        'Elba Isle, Campo, Italy'
_chemical_formula_sum            'Al2 Mn3 O12 Si3'
_chemical_name_mineral           Spessartine
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.630
_cell_length_b                   11.630
_cell_length_c                   11.630
_cell_formula_units_Z            8
_cell_volume                     1573.038
_database_code_amcsd             0009927
_exptl_crystal_density_diffrn    4.181
_cod_original_sg_symbol_H-M      'I a 3 d'
_cod_original_formula_sum        'Al2 Mn3 Si3 O12'
_cod_database_code               9007701
The room-temperature structure of DUO2AsO4*4D2O by powder neutron diffraction Locality: synthetic
Fitch, A. N.; Bernard, L.; Howe, A. T.; Wright, A. F.; Fender, B. E. F.; Acta Crystallographica, Section C 39 (1983) 159–162; doi:10.1107/S0108270183003960

data_9007703
_publ_section_title
;The room-temperature structure of DUO2AsO4*4D2O by powder neutron diffraction
 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              159
_journal_page_last               162
_journal_paper_doi               10.1107/S0108270183003960
_journal_volume                  39
_journal_year                    1983
_chemical_formula_structural     DUO2AsO4*4D2O
_chemical_formula_sum            'As D9 O10 U'
_space_group_IT_number           130
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.1615
_cell_length_b                   7.1615
_cell_length_c                   17.6390
_cell_formula_units_Z            4
_cell_volume                     904.653
_exptl_crystal_density_diffrn    3.606
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        'D9 U O10 As'
_cod_database_code               9007703
_database_code_amcsd 0009970
Sur les composes III-V-VI: Etude structurale du disulfure d'antimoine et de thallium, TlSbS2
Rey, N.; Jumas, J. C.; Olivier-Fourcade J; Philippot, E.; Acta Crystallographica, Section C 39 (1983) 971–974; doi:10.1107/S0108270183007040

data_9007704
_publ_section_title
;
 Sur les composes III-V-VI: Etude structurale du
 disulfure d'antimoine et de thallium, TlSbS2
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              971
_journal_page_last               974
_journal_paper_doi               10.1107/S0108270183007040
_journal_volume                  39
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            'S2 Sb Tl'
_chemical_name_mineral           Weissbergite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.34
_cell_angle_beta                 98.39
_cell_angle_gamma                103.21
_cell_length_a                   6.123
_cell_length_b                   6.293
_cell_length_c                   11.838
_cell_formula_units_Z            4
_cell_volume                     426.612
_database_code_amcsd             0009980
_exptl_crystal_density_diffrn    6.076
_cod_original_formula_sum        'Tl Sb S2'
_cod_database_code               9007704
New structure determination of murdochite, Cu6PbO8
Dubler, E.; Vedani, A.; Oswald, H. R.; Acta Crystallographica, Section C 39 (1983) 1143–1146; doi:10.1107/S0108270183007702

data_9007705
_publ_section_title
;
 New structure determination of murdochite, Cu6PbO8
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1143
_journal_page_last               1146
_journal_paper_doi               10.1107/S0108270183007702
_journal_volume                  39
_journal_year                    1983
_chemical_compound_source        'Hansonburg mining district, New Mexico, USA'
_chemical_formula_sum            'Br0.36 Cl0.64 Cu6 O7.52 Pb'
_chemical_name_mineral           Murdochite
_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                   9.224
_cell_length_b                   9.224
_cell_length_c                   9.224
_cell_formula_units_Z            4
_cell_volume                     784.798
_database_code_amcsd             0009981
_exptl_crystal_density_diffrn    6.434
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Pb Cu6 O7.52 (Cl.64 Br.36)'
_cod_database_code               9007705
The structure of magnetite: two annealed natural magnetites, Fe3.005O4 and Fe2.96Mg0.04O4 Note: Sample No.633, Fe3.005, annealed at 1373 K for 7 days
Fleet, M. E.; Acta Crystallographica, Section C 40 (1984) 1491–1493; doi:10.1107/S0108270184008489

data_9007706
_publ_section_title
;
 The structure of magnetite: two annealed natural magnetites,
 Fe3.005O4 and Fe2.96Mg0.04O4
 Note: Sample No.633, Fe3.005, annealed at 1373 K for 7 days
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1491
_journal_page_last               1493
_journal_paper_doi               10.1107/S0108270184008489
_journal_volume                  40
_journal_year                    1984
_chemical_formula_sum            'Fe3 O4'
_chemical_name_mineral           Magnetite
_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                   8.3969
_cell_length_b                   8.3969
_cell_length_c                   8.3969
_cell_formula_units_Z            8
_cell_volume                     592.048
_database_code_amcsd             0009994
_exptl_crystal_density_diffrn    5.195
_exptl_crystal_thermal_history   'annealed at 1373 K for 7 days'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9007706
The structure of magnetite: two annealed natural magnetites, Fe3.005O4 and Fe2.96Mg0.04O4 Note: Sample No.2741, Fe2.96, annealed at 1073 K for 7 days
Fleet, M. E.; Acta Crystallographica, Section C 40 (1984) 1491–1493; doi:10.1107/S0108270184008489

data_9007707
_publ_section_title
;
 The structure of magnetite: two annealed natural magnetites,
 Fe3.005O4 and Fe2.96Mg0.04O4
 Note: Sample No.2741, Fe2.96, annealed at 1073 K for 7 days
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1491
_journal_page_last               1493
_journal_paper_doi               10.1107/S0108270184008489
_journal_volume                  40
_journal_year                    1984
_chemical_formula_sum            'Fe2.961 Mg0.039 O4'
_chemical_name_mineral           Magnetite
_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                   8.3975
_cell_length_b                   8.3975
_cell_length_c                   8.3975
_cell_formula_units_Z            8
_cell_volume                     592.175
_database_code_amcsd             0009995
_exptl_crystal_density_diffrn    5.167
_exptl_crystal_thermal_history   'annealed at 1073 K for 7 days'
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Fe2.961 Mg.039) O4'
_cod_database_code               9007707
Structure of fluorene, C~13~H~10~, at 159 K
Gerkin, R. E.; Lundstedt, A. P.; Reppart, W. J.; Acta Crystallographica Section C 40 (1984) 1892–1894; doi:10.1107/S0108270184009963

data_9007708
_publ_section_title
;
 Structure of fluorene, C~13~H~10~, at 159 K
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1892
_journal_page_last               1894
_journal_paper_doi               10.1107/S0108270184009963
_journal_volume                  40
_journal_year                    1984
_chemical_compound_source        synthetic
_chemical_formula_sum            'C13 H10'
_chemical_name_mineral           Kratochvilite
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.365(3)
_cell_length_b                   18.745(4)
_cell_length_c                   5.654(2)
_cell_volume                     886.558
_database_code_amcsd             0009998
_diffrn_ambient_temperature      159
_exptl_crystal_density_diffrn    1.245
_cod_database_code               9007708
Structure of Ca-rich agardite, (Ca0.40Y0.31Fe0.09Ce0.06La0.04Nd0.01)Cu6.19[(AsO4)2.42(HAsO4)0.49](OH)6.38*3H2O Locality: Setoda, Hiroshima, Japan
Aruga, A.; Nakai, I.; Acta Crystallographica, Section C 41 (1985) 161–163; doi:10.1107/S0108270185003158

data_9007709
_publ_section_title
;Structure of Ca-rich agardite,
 (Ca0.40Y0.31Fe0.09Ce0.06La0.04Nd0.01)Cu6.19[(AsO4)2.42(HAsO4)0.49](OH)6.38*3H2O
 Locality: Setoda, Hiroshima, Japan
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              161
_journal_page_last               163
_journal_paper_doi               10.1107/S0108270185003158
_journal_volume                  41
_journal_year                    1985
_chemical_formula_sum
'As3 Ca0.4 Ce0.06 Cu6 Fe0.09 H18 La0.04 Nd0.01 O21 Y0.31'
_chemical_name_mineral           Zalesiite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_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                   13.583
_cell_length_b                   13.583
_cell_length_c                   5.895
_cell_volume                     941.902
_exptl_crystal_density_diffrn    3.611
_cod_original_formula_sum
'Ca.4 Y.31 Fe.09 Ce.06 La.04 Nd.01 Cu6 As3 O21 H18'
_cod_database_code               9007709
Refinement of the structure of orthorhombic PbO (massicot) by Rietveld analysis of neutron powder diffraction data
Hill, R. J.; Acta Crystallographica, Section C 41 (1985) 1281–1284; doi:10.1107/S0108270185007454

data_9007710
_publ_section_title
;
 Refinement of the structure of orthorhombic PbO (massicot) by
 Rietveld analysis of neutron powder diffraction data
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1281
_journal_page_last               1284
_journal_paper_doi               10.1107/S0108270185007454
_journal_volume                  41
_journal_year                    1985
_chemical_compound_source
'synthetic: Merck "pro analyse" (batch number 0093820)'
_chemical_formula_sum            'O Pb'
_chemical_name_mineral           Massicot
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2c 2b'
_symmetry_space_group_name_H-M   'P b c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.8931
_cell_length_b                   5.4904
_cell_length_c                   4.7528
_cell_formula_units_Z            4
_cell_volume                     153.779
_database_code_amcsd             0010011
_exptl_crystal_density_diffrn    9.641
_cod_original_formula_sum        'Pb O'
_cod_database_code               9007710
Structure of Na2CaSi2O6
Ohsato, H.; Maki, I.; Takeuchi, Y.; Acta Crystallographica, Section C 41 (1985) 1575–1577; doi:10.1107/S0108270185008617

data_9007711
_publ_section_title
;
 Structure of Na2CaSi2O6
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1575
_journal_page_last               1577
_journal_paper_doi               10.1107/S0108270185008617
_journal_volume                  41
_journal_year                    1985
_chemical_compound_source        'synthetic high-temperature form'
_chemical_formula_sum            'Ca1.543 Na2.914 O9 Si3'
_chemical_name_mineral           Combeite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.500
_cell_length_b                   10.500
_cell_length_c                   13.184
_cell_formula_units_Z            6
_cell_volume                     1258.799
_database_code_amcsd             0010016
_exptl_crystal_density_diffrn    2.827
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Na2.914 Ca1.543 Si3 O9'
_cod_database_code               9007711
Structures of hydrothermally synthesized cobalt(II) carbonate and nickel(II) carbonate Locality: synthetic
Pertlik, F.; Acta Crystallographica, Section C 42 (1986) 4–5; doi:10.1107/S0108270186097524

data_9007712
_publ_section_title
;Structures of hydrothermally synthesized cobalt(II) carbonate and nickel(II)
 carbonate Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              4
_journal_page_last               5
_journal_paper_doi               10.1107/S0108270186097524
_journal_volume                  42
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C Ni O3'
_chemical_name_mineral           Gaspeite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_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                   4.6117
_cell_length_b                   4.6117
_cell_length_c                   14.735
_cell_formula_units_Z            6
_cell_volume                     271.396
_database_code_amcsd             0010020
_exptl_crystal_density_diffrn    4.358
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Ni C O3'
_cod_database_code               9007712
Structures of hydrothermally synthesized cobalt(II) carbonate and nickel(II) carbonate Locality: synthetic
Pertlik, F.; Acta Crystallographica, Section C 42 (1986) 4–5; doi:10.1107/S0108270186097524

data_9007713
_publ_section_title
;Structures of hydrothermally synthesized cobalt(II) carbonate and nickel(II)
 carbonate Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              4
_journal_page_last               5
_journal_paper_doi               10.1107/S0108270186097524
_journal_volume                  42
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C Co O3'
_chemical_name_mineral           Spherocobaltite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_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                   4.6618
_cell_length_b                   4.6618
_cell_length_c                   14.963
_cell_formula_units_Z            6
_cell_volume                     281.616
_database_code_amcsd             0010021
_exptl_crystal_density_diffrn    4.208
_cod_original_cell_volume        281.615
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Co C O3'
_cod_database_code               9007713
Structure of kamiokite Note: anisoB's taken from ICSD
Kanazawa, Y.; Sasaki, A.; Acta Crystallographica, Section C 42 (1986) 9–11; doi:10.1107/S0108270186097500

data_9007714
_publ_section_title
;
 Structure of kamiokite
 Note: anisoB's taken from ICSD
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              9
_journal_page_last               11
_journal_paper_doi               10.1107/S0108270186097500
_journal_volume                  42
_journal_year                    1986
_chemical_compound_source        'Kamioka mine, Gifu Prefecture, Japan'
_chemical_formula_sum            'Fe2 Mo3 O8'
_chemical_name_mineral           Kamiokite
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.781
_cell_length_b                   5.781
_cell_length_c                   10.060
_cell_formula_units_Z            2
_cell_volume                     291.162
_database_code_amcsd             0010022
_exptl_crystal_density_diffrn    6.017
_cod_database_code               9007714
Calcium and strontium dichloride hexahydrates by neutron diffraction
Agron, P. A.; Busing, W. R.; Acta Crystallographica, Section C 42 (1986) 141–143; doi:10.1107/S0108270186097007

data_9007715
_publ_section_title
;
 Calcium and strontium dichloride hexahydrates by neutron diffraction
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              141
_journal_page_last               143
_journal_paper_doi               10.1107/S0108270186097007
_journal_volume                  42
_journal_year                    1986
_chemical_formula_sum            'Ca Cl2 H12 O6'
_chemical_name_mineral           Antarcticite
_space_group_IT_number           150
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.8759
_cell_length_b                   7.8758
_cell_length_c                   3.9545
_cell_formula_units_Z            1
_cell_volume                     212.431
_database_code_amcsd             0010027
_exptl_crystal_density_diffrn    1.712
_cod_original_formula_sum        'Ca Cl2 O6 H12'
_cod_database_code               9007715
Calcium and strontium dichloride hexahydrates by neutron diffraction
Agron, P. A.; Busing, W. R.; Acta Crystallographica, Section C 42 (1986) 141–143; doi:10.1107/S0108270186097007

data_9007716
_publ_section_title
;
 Calcium and strontium dichloride hexahydrates by neutron diffraction
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              141
_journal_page_last               143
_journal_paper_doi               10.1107/S0108270186097007
_journal_volume                  42
_journal_year                    1986
_chemical_formula_structural     SrCl2*6H2O
_chemical_formula_sum            'Cl2 H12 O6 Sr'
_space_group_IT_number           150
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.9596
_cell_length_b                   7.9596
_cell_length_c                   4.1243
_cell_formula_units_Z            1
_cell_volume                     226.289
_database_code_amcsd             0010028
_exptl_crystal_density_diffrn    1.956
_cod_original_formula_sum        'Sr Cl2 O6 H12'
_cod_database_code               9007716
_amcsd_formula_title             SrCl2*6H2O