LMucko/crystallography-open-database huggingface dataset:
The crystal chemistry of the solid solution series between chalcostibite (CuSbS2) and emplectite (CuBiS2) Note: synthetic
Razmara, M. F.; Henderson, C. M. B.; Pattrick, R. A. D.; Bell, A. M. T.; Charnock, L. M.; Mineralogical Magazine 61 (1997) 79–88; doi:10.1180/minmag.1997.061.404.08

data_9009502
_publ_section_title
;The crystal chemistry of the solid solution series between chalcostibite
 (CuSbS2) and emplectite (CuBiS2) Note: synthetic
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              79
_journal_page_last               88
_journal_paper_doi               10.1180/minmag.1997.061.404.08
_journal_volume                  61
_journal_year                    1997
_chemical_formula_sum            'Bi Cu S2'
_chemical_name_mineral           Emplectite
_space_group_IT_number           62
_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_length_a                   6.1413
_cell_length_b                   3.9191
_cell_length_c                   14.524
_cell_formula_units_Z            4
_cell_volume                     349.569
_database_code_amcsd             0014523
_exptl_crystal_density_diffrn    6.397
_cod_original_formula_sum        'Cu Bi S2'
_cod_database_code               9009502
The crystal chemistry of the solid solution series between chalcostibite (CuSbS2) and emplectite (CuBiS2) Note: synthetic
Razmara, M. F.; Henderson, C. M. B.; Pattrick, R. A. D.; Bell, A. M. T.; Charnock, L. M.; Mineralogical Magazine 61 (1997) 79–88; doi:10.1180/minmag.1997.061.404.08

data_9009503
_publ_section_title
;The crystal chemistry of the solid solution series between chalcostibite
 (CuSbS2) and emplectite (CuBiS2) Note: synthetic
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              79
_journal_page_last               88
_journal_paper_doi               10.1180/minmag.1997.061.404.08
_journal_volume                  61
_journal_year                    1997
_chemical_formula_sum            'Cu S2 Sb'
_chemical_name_mineral           Chalcostibite
_space_group_IT_number           62
_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_length_a                   6.0160
_cell_length_b                   3.7968
_cell_length_c                   14.499
_cell_formula_units_Z            4
_cell_volume                     331.180
_database_code_amcsd             0014524
_exptl_crystal_density_diffrn    5.003
_cod_original_formula_sum        'Cu Sb S2'
_cod_database_code               9009503
The crystal structure of kintoreite, PbFe3(PO4)2(OH,H2O)6 Note: occupancy of P and As are switched from the reported values
Kharisun; Taylor, M. R.; Bevan, D. J. M.; Pring, A.; Mineralogical Magazine 61 (1997) 123–129; doi:10.1180/minmag.1997.061.404.12

data_9009504
_publ_section_title
;
 The crystal structure of kintoreite, PbFe3(PO4)2(OH,H2O)6
 Note: occupancy of P and As are switched from the reported values
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              123
_journal_page_last               129
_journal_paper_doi               10.1180/minmag.1997.061.404.12
_journal_volume                  61
_journal_year                    1997
_chemical_compound_source
'Kintore opencut, Broken Hill, New South Wales, Australia'
_chemical_formula_sum            'As0.32 Fe3 H6 O14 P1.46 Pb S0.22'
_chemical_name_mineral           Kintoreite
_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_formula_units_Z            3
_cell_length_a                   7.3310
_cell_length_b                   7.3310
_cell_length_c                   16.885
_cell_volume                     785.883
_database_code_amcsd             0014525
_exptl_crystal_density_diffrn    4.316
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Pb Fe3 (P1.46 As.32 S.22) O14 H6'
_cod_database_code               9009504
The crystal structure of averievite, Cu5O2(VO4)2*nMX: comparison with related compounds Note: Coordinates for O6 added to the dataset by Krivovichev Aug 2005
Starova, G. L.; Krivovichev, S. V.; Fundamensky, V. S.; Filatov, S. K.; Mineralogical Magazine 61 (1997) 441–446; doi:10.1180/minmag.1997.061.406.09

data_9009505
_publ_section_title
;
 The crystal structure of averievite, Cu5O2(VO4)2*nMX:
 comparison with related compounds
 Note: Coordinates for O6 added to the dataset by Krivovichev Aug 2005
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              441
_journal_page_last               446
_journal_paper_doi               10.1180/minmag.1997.061.406.09
_journal_volume                  61
_journal_year                    1997
_chemical_compound_source
'Main Tolbachik Fracture Eruption of Kamchatka'
_chemical_formula_sum            'Cl2 Cu6.01 O10 V2'
_chemical_name_mineral           Averievite
_space_group_IT_number           143
_symmetry_space_group_name_Hall  'P 3'
_symmetry_space_group_name_H-M   'P 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.375
_cell_length_b                   6.375
_cell_length_c                   8.399
_cell_formula_units_Z            1
_cell_volume                     295.610
_database_code_amcsd             0014526
_exptl_crystal_density_diffrn    4.015
_cod_original_formula_sum        'Cu6.01 V2 O10 Cl2'
_cod_database_code               9009505
Ba-rich celestine: new data and crystal structure refinement
Brigatti, M. F.; Galli, E.; Medici, L.; Mineralogical Magazine 61 (1997) 447–451; doi:10.1180/minmag.1997.061.406.10

data_9009506
_publ_section_title
;
 Ba-rich celestine: new data and crystal structure refinement
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              447
_journal_page_last               451
_journal_paper_doi               10.1180/minmag.1997.061.406.10
_journal_volume                  61
_journal_year                    1997
_chemical_compound_source
'filling cavities of volcanoclastic rocks, Montecchio Maggiore, Vicenza, Italy'
_chemical_formula_sum            'Ba0.13 O4 S Sr0.87'
_chemical_name_mineral           Celestine
_space_group_IT_number           62
_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_length_a                   8.408
_cell_length_b                   5.372
_cell_length_c                   6.897
_cell_formula_units_Z            4
_cell_volume                     311.522
_database_code_amcsd             0014527
_exptl_crystal_density_diffrn    4.054
_cod_original_formula_sum        '(Sr.87 Ba.13) S O4'
_cod_database_code               9009506
Mineralogical characterization of paulingite from Vinaricka Hora, Czech Republic Locality: Vinaricka Hora, Czech Republic
Lengauer, C. L.; Giester, G.; Tillmanns, E.; Mineralogical Magazine 61 (1997) 591–606; doi:10.1180/minmag.1997.061.407.10

data_9009507
_publ_section_title
;Mineralogical characterization of paulingite from Vinaricka Hora, Czech
 Republic Locality: Vinaricka Hora, Czech Republic
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              591
_journal_page_last               606
_journal_paper_doi               10.1180/minmag.1997.061.407.10
_journal_volume                  61
_journal_year                    1997
_chemical_compound_source        'Vinaricka Hora, Czech Republic'
_chemical_formula_sum
'Al45.36 Ba5.749 Ca10.25 H432 K9 Na0.312 O434.75 Si122.64'
_chemical_name_mineral           Paulingite-Ca
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   35.1231
_cell_length_b                   35.1231
_cell_length_c                   35.1231
_cell_volume                     43328.985
_database_code_amcsd             0014528
_exptl_crystal_density_diffrn    2.088
_cod_original_cell_volume        43328.988
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_original_formula_sum
'(Si122.64 Al45.36) O434.75 Ca10.25 Ba5.749 K9 Na.312 H432'
_cod_database_code               9009507
_cell_formula_units_Z 4
Crystal structure refinement of miargyrite, AgSbS2
Smith, J. V.; Pluth, J. J.; Han, S.; Mineralogical Magazine 61 (1997) 671–675; doi:10.1180/minmag.1997.061.408.05

data_9009508
_publ_section_title
;
 Crystal structure refinement of miargyrite, AgSbS2
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              671
_journal_page_last               675
_journal_paper_doi               10.1180/minmag.1997.061.408.05
_journal_volume                  61
_journal_year                    1997
_chemical_formula_sum            'Ag S2 Sb'
_chemical_name_mineral           Miargyrite
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.567
_cell_angle_gamma                90
_cell_length_a                   12.824
_cell_length_b                   4.4060
_cell_length_c                   13.193
_cell_formula_units_Z            8
_cell_volume                     737.121
_database_code_amcsd             0014529
_exptl_crystal_density_diffrn    5.294
_cod_original_formula_sum        'Ag Sb S2'
_cod_database_code               9009508
Crystal structure of austinite, CaZn(AsO4)OH
Clark, L. A.; Pluth, J. J.; Steele, I. M.; Smith, J. V.; Sutton, S. R.; Mineralogical Magazine 61 (1997) 677–683; doi:10.1180/minmag.1997.061.408.06

data_9009509
_publ_section_title
;
 Crystal structure of austinite, CaZn(AsO4)OH
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              677
_journal_page_last               683
_journal_paper_doi               10.1180/minmag.1997.061.408.06
_journal_volume                  61
_journal_year                    1997
_chemical_compound_source        'Sonora, Mexico'
_chemical_formula_sum            'As Ca H O5 Zn'
_chemical_name_mineral           Austinite
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.5092
_cell_length_b                   9.0438
_cell_length_c                   5.9343
_cell_formula_units_Z            4
_cell_volume                     403.008
_database_code_amcsd             0014530
_exptl_crystal_density_diffrn    4.308
_cod_original_formula_sum        'As Zn Ca O5 H'
_cod_database_code               9009509
The crystal structure of mawbyite, PbFe2(AsO4)2(OH)2
Kharisun; Taylor, M. R.; Bevan, D. J. M.; Rae, A. D.; Pring, A.; Mineralogical Magazine 61 (1997) 685–691; doi:10.1180/minmag.1997.061.408.07

data_9009510
_publ_section_title
;
 The crystal structure of mawbyite, PbFe2(AsO4)2(OH)2
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              685
_journal_page_last               691
_journal_paper_doi               10.1180/minmag.1997.061.408.07
_journal_volume                  61
_journal_year                    1997
_chemical_compound_source
'Broken Hill, New South Wales, Australia, type specimen'
_chemical_formula_sum            'As2 Fe2 H2 O10 Pb'
_chemical_name_mineral           Mawbyite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.857
_cell_angle_gamma                90
_cell_length_a                   9.066
_cell_length_b                   6.286
_cell_length_c                   7.564
_cell_formula_units_Z            2
_cell_volume                     391.130
_database_code_amcsd             0014531
_exptl_crystal_density_diffrn    5.356
_cod_original_formula_sum        'Pb Fe2 As2 O10 H2'
_cod_database_code               9009510
The crystal chemistry of duftite, PbCuAsO4(OH) and the beta-duftite problem Note: sample is synthetic
Kharisun; Taylor, M. R.; Bevan, D. J. M.; Pring, A.; Mineralogical Magazine 62 (1998) 121–130; doi:10.1180/002646198547413

data_9009511
_publ_section_title
;
 The crystal chemistry of duftite, PbCuAsO4(OH) and the beta-duftite problem
 Note: sample is synthetic
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              121
_journal_page_last               130
_journal_paper_doi               10.1180/002646198547413
_journal_volume                  62
_journal_year                    1998
_chemical_formula_sum            'As Cu H O5 Pb'
_chemical_name_mineral           Duftite
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.768
_cell_length_b                   9.211
_cell_length_c                   5.999
_cell_volume                     429.235
_database_code_amcsd             0014532
_exptl_crystal_density_diffrn    6.603
_cod_original_formula_sum        'Pb Cu As O5 H'
_cod_database_code               9009511
The structure of antimonian dussertite and the role of antimony in oxysalt minerals Locality: Clara mine, Black Forest, Germany
Kolitsch, U.; Slade, P. G.; Tiekink, E. R. T.; Pring, A.; Mineralogical Magazine 63 (1999) 17–26; doi:10.1180/002646199548277

data_9009512
_publ_section_title
;
 The structure of antimonian dussertite
 and the role of antimony in oxysalt minerals
 Locality: Clara mine, Black Forest, Germany
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              17
_journal_page_last               26
_journal_paper_doi               10.1180/002646199548277
_journal_volume                  63
_journal_year                    1999
_chemical_formula_sum            'As2 Ba Fe2.52 O14 Sb0.48'
_chemical_name_mineral           Dussertite
_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_formula_units_Z            3
_cell_length_a                   7.410
_cell_length_b                   7.410
_cell_length_c                   17.4840
_cell_volume                     831.396
_exptl_crystal_density_diffrn    4.256
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Ba (Fe2.52 Sb.48) As2 O14'
_cod_database_code               9009512
Crystal structure of barstowite (3PbCl2PbCO3H2O)
Steele, I. M.; Pluth, J. J.; Stanley, C. J.; Mineralogical Magazine 63 (1999) 901–907; doi:10.1180/minmag.1999.063.6.09

data_9009513
_publ_section_title
;
 Crystal structure of barstowite (3PbCl2PbCO3H2O)
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              901
_journal_page_last               907
_journal_paper_doi               10.1180/minmag.1999.063.6.09
_journal_volume                  63
_journal_year                    1999
_chemical_compound_source        'Bounds Cliff, St Endellion, Cornwall'
_chemical_formula_sum            'C H2 Cl6 O4 Pb4'
_chemical_name_mineral           Barstowite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.829
_cell_angle_gamma                90
_cell_length_a                   4.2023
_cell_length_b                   9.2020
_cell_length_c                   16.6608
_cell_formula_units_Z            2
_cell_volume                     643.938
_database_code_amcsd             0014538
_exptl_crystal_density_diffrn    5.774
_cod_original_formula_sum        'Pb4 Cl6 C O4 H2'
_cod_database_code               9009513
Arizona porphyry copper/hydrothermal deposits I. The structure of chenevixite and luetheite Note: Luetheite-chenevixite series
Burns, P. C.; Smith, J. V.; Steele, I. M.; Mineralogical Magazine 64 (2000) 25–30; doi:10.1180/002646100549102

data_9009514
_publ_section_title
;
 Arizona porphyry copper/hydrothermal deposits I.
 The structure of chenevixite and luetheite
 Note: Luetheite-chenevixite series
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              25
_journal_page_last               30
_journal_paper_doi               10.1180/002646100549102
_journal_volume                  64
_journal_year                    2000
_chemical_compound_source        'Humboldt mine, Patagonia, Arizona'
_chemical_formula_sum            'Al0.635 As Cu Fe0.365 H2 O6'
_chemical_name_mineral           Luetheite
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb (1/2*x,y,-1/2*x+z)'
_symmetry_space_group_name_H-M   'B 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 89.99
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.7012
_cell_length_b                   5.1801
_cell_length_c                   29.265
_cell_volume                     864.277
_database_code_amcsd             0014539
_exptl_crystal_density_diffrn    4.211
_cod_original_formula_sum        'Cu (Al.635 Fe.365) As O6 H2'
_cod_database_code               9009514
A high temperature structural phase transition in crocoite (PbCrO4) at 1068 K: crystal structure refinement at 1073 K and thermal expansion tensor determination at 1000 K Sample: the high temperature form at T = 1073 K
Knight, K. S.; Mineralogical Magazine 64 (2000) 291–300; doi:10.1180/002646100549193

data_9009515
_publ_section_title
;A high temperature structural phase transition in crocoite (PbCrO4) at 1068
 K: crystal structure refinement at 1073 K and thermal expansion tensor
 determination at 1000 K Sample: the high temperature form at T = 1073 K
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              291
_journal_page_last               300
_journal_paper_doi               10.1180/002646100549193
_journal_volume                  64
_journal_year                    2000
_chemical_compound_source        'Dundas, Tasmania'
_chemical_formula_sum            'Cr O4 Pb'
_chemical_name_mineral           Crocoite
_space_group_IT_number           62
_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_length_a                   8.79861
_cell_length_b                   5.73422
_cell_length_c                   7.27402
_cell_formula_units_Z            4
_cell_volume                     366.997
_database_code_amcsd             0014540
_diffrn_ambient_temperature      1073
_exptl_crystal_density_diffrn    5.849
_cod_original_formula_sum        'Pb Cr O4'
_cod_database_code               9009515
The crystal structure of faustite and its copper analogue turquoise
Kolitsch, U.; Giester, G.; Mineralogical Magazine 64 (2000) 905–913; doi:10.1180/002646100549733

data_9009516
_publ_section_title
;
 The crystal structure of faustite and its copper analogue turquoise
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              905
_journal_page_last               913
_journal_paper_doi               10.1180/002646100549733
_journal_volume                  64
_journal_year                    2000
_chemical_compound_source
'Iron Monarch iron ore deposit, South Australia'
_chemical_formula_sum            'Al6 H16 O28 P4 Zn0.927'
_chemical_name_mineral           Faustite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                69.17
_cell_angle_beta                 69.88
_cell_angle_gamma                64.98
_cell_length_a                   7.419
_cell_length_b                   7.629
_cell_length_c                   9.905
_cell_formula_units_Z            1
_cell_volume                     462.236
_database_code_amcsd             0014544
_exptl_crystal_density_diffrn    2.912
_cod_original_formula_sum        'Zn.927 Al6 P4 O28 H16'
_cod_database_code               9009516
The crystal structure of faustite and its copper analogue turquoise
Kolitsch, U.; Giester, G.; Mineralogical Magazine 64 (2000) 905–913; doi:10.1180/002646100549733

data_9009517
_publ_section_title
;
 The crystal structure of faustite and its copper analogue turquoise
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              905
_journal_page_last               913
_journal_paper_doi               10.1180/002646100549733
_journal_volume                  64
_journal_year                    2000
_chemical_compound_source
'Iron Monarch iron ore deposit, South Australia'
_chemical_formula_sum            'Al3 Cu0.452 H8 O14 P2'
_chemical_name_mineral           Turquoise
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                68.42
_cell_angle_beta                 69.65
_cell_angle_gamma                65.05
_cell_formula_units_Z            2
_cell_length_a                   7.410
_cell_length_b                   7.633
_cell_length_c                   9.904
_cell_volume                     459.808
_database_code_amcsd             0014545
_exptl_crystal_density_diffrn    2.916
_cod_original_formula_sum        'Cu.452 Al3 P2 O14 H8'
_cod_database_code               9009517
Crystal chemistry of basic lead carbonates II. Crystal structure of synthetic `plumbonacrite'
Krivovichev, S. V.; Burns, P. C.; Mineralogical Magazine 64 (2000) 1069–1075; doi:10.1180/002646100549887

data_9009518
_publ_section_title
;
 Crystal chemistry of basic lead carbonates
 II. Crystal structure of synthetic `plumbonacrite'
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              1069
_journal_page_last               1075
_journal_paper_doi               10.1180/002646100549887
_journal_volume                  64
_journal_year                    2000
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C3 H2 O12 Pb5'
_chemical_name_mineral           Plumbonacrite
_space_group_IT_number           185
_symmetry_space_group_name_Hall  'P 6c -2'
_symmetry_space_group_name_H-M   'P 63 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   9.0921
_cell_length_b                   9.0921
_cell_length_c                   24.923
_cell_volume                     1784.265
_database_code_amcsd             0014551
_exptl_crystal_density_diffrn    7.070
_cod_original_formula_sum        'Pb5 C3 (O12 H2)'
_cod_database_code               9009518