LMucko/crystallography-open-database huggingface dataset:
Interpretation of selected structures of the bismuthinite - aikinite series as commensurately modulated structures Sample: supercell refinement
Petricek, V.; Makovicky, E.; The Canadian Mineralogist 44 (2006) 189–206; doi:10.2113/gscanmin.44.1.189

data_9004978
_publ_section_title
;
 Interpretation of selected structures of the bismuthinite - aikinite
 series as commensurately modulated structures
 Sample: supercell refinement
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              189
_journal_page_last               206
_journal_paper_doi               10.2113/gscanmin.44.1.189
_journal_volume                  44
_journal_year                    2006
_chemical_formula_sum            'Bi5 Cu Pb S9'
_chemical_name_mineral           Gladite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.0044
_cell_length_b                   33.5754
_cell_length_c                   11.4795
_cell_formula_units_Z            4
_cell_volume                     1543.411
_database_code_amcsd             0006076
_exptl_crystal_density_diffrn    6.904
_cod_original_formula_sum        'Cu Pb Bi5 S9'
_cod_database_code               9004978
Lenaite from the Gies gold-silver telluride deposit, Judith Mountains, Montana, USA: occurrence, composition, and crystal structure Locality: Gies gold-silver telluride deposit, Judith Mountains, Montana, USA
Bindi, L.; Spry, P. G.; Pratesi, G.; The Canadian Mineralogist 44 (2006) 207–212; doi:10.2113/gscanmin.44.1.207

data_9004979
_publ_section_title
;Lenaite from the Gies gold-silver telluride deposit, Judith Mountains,
 Montana, USA: occurrence, composition, and crystal structure Locality: Gies
 gold-silver telluride deposit, Judith Mountains, Montana, USA
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              207
_journal_page_last               212
_journal_paper_doi               10.2113/gscanmin.44.1.207
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source
'Gies gold-silver telluride deposit, Judith Mountains, Montana, USA'
_chemical_formula_sum            'Ag Fe S2'
_chemical_name_mineral           Lenaite
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.4371
_cell_length_b                   5.4371
_cell_length_c                   10.8479
_cell_formula_units_Z            4
_cell_volume                     320.686
_database_code_amcsd             0006082
_exptl_crystal_density_diffrn    4.719
_cod_database_code               9004979
The crystal chemistry, structure and properties of a synthetic carnotite-type compound, Ba2[(UO2)2Ti2O8]
Wallwork, K. S.; James, M.; Carter, M. L.; The Canadian Mineralogist 44 (2006) 433–442; doi:10.2113/gscanmin.44.2.433

data_9004980
_publ_section_title
;
 The crystal chemistry, structure and properties
 of a synthetic carnotite-type compound, Ba2[(UO2)2Ti2O8]
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              433
_journal_page_last               442
_journal_paper_doi               10.2113/gscanmin.44.2.433
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_structural     Ba2[(UO2)2Ti2O8]
_chemical_formula_sum            'Ba O6 Ti U'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 75.936
_cell_angle_gamma                90
_cell_length_a                   6.4463
_cell_length_b                   8.5999
_cell_length_c                   10.2532
_cell_formula_units_Z            4
_cell_volume                     551.374
_database_code_amcsd             0006083
_exptl_crystal_density_diffrn    6.255
_cod_original_formula_sum        'Ba U Ti O6'
_cod_database_code               9004980
_amcsd_formula_title             Ba2[(UO2)2Ti2O8]
Rare sulfosalts from Vulcano, Aeolian Islands, Italy. VII. Cl-bearing galenobismutite Locality: Vulcano, Aeolian Islands, Italy Sample: FF-1991a
Pinto, D.; Balic-Zunic T; Bonaccorsi, E.; Borodaev, Y. S.; Garavelli, A.; Garbarino, C.; Makovicky, E.; Mozgova, N. N.; Vurro, F.; The Canadian Mineralogist 44 (2006) 443–457; doi:10.2113/gscanmin.44.2.443

data_9004981
_publ_section_title
;Rare sulfosalts from Vulcano, Aeolian Islands, Italy. VII. Cl-bearing
 galenobismutite Locality: Vulcano, Aeolian Islands, Italy Sample: FF-1991a
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              443
_journal_page_last               457
_journal_paper_doi               10.2113/gscanmin.44.2.443
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source        'Vulcano, Aeolian Islands, Italy'
_chemical_formula_sum            'Bi1.85 Cl0.168 Pb1.14 S3.738 Se0.094'
_chemical_name_mineral           Galenobismutite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.832
_cell_length_b                   14.640
_cell_length_c                   4.0817
_cell_formula_units_Z            4
_cell_volume                     707.034
_database_code_amcsd             0006084
_exptl_crystal_density_diffrn    7.103
_cod_original_formula_sum        'Pb1.14 Bi1.85 S3.738 Se.094 Cl.168'
_cod_database_code               9004981
Rare sulfosalts from Vulcano, Aeolian Islands, Italy. VII. Cl-bearing galenobismutite Locality: Vulcano, Aeolian Islands, Italy Sample: FF-1991b
Pinto, D.; Balic-Zunic T; Bonaccorsi, E.; Borodaev, Y. S.; Garavelli, A.; Garbarino, C.; Makovicky, E.; Mozgova, N. N.; Vurro, F.; The Canadian Mineralogist 44 (2006) 443–457; doi:10.2113/gscanmin.44.2.443

data_9004982
_publ_section_title
;Rare sulfosalts from Vulcano, Aeolian Islands, Italy. VII. Cl-bearing
 galenobismutite Locality: Vulcano, Aeolian Islands, Italy Sample: FF-1991b
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              443
_journal_page_last               457
_journal_paper_doi               10.2113/gscanmin.44.2.443
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source        'Vulcano, Aeolian Islands, Italy'
_chemical_formula_sum            'Bi0.91 Cl0.1 Pb0.575 S1.792 Se0.131'
_chemical_name_mineral           Galenobismutite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.846
_cell_length_b                   14.667
_cell_length_c                   4.085
_cell_formula_units_Z            8
_cell_volume                     709.749
_database_code_amcsd             0006085
_exptl_crystal_density_diffrn    7.124
_cod_original_formula_sum        'Pb.575 Bi.91 S1.792 Se.131 Cl.1'
_cod_database_code               9004982
The crystal structure of berryite, Cu3Ag2Pb3Bi7S16 Note: y-coordinates corrected by author
Topa, D.; Makovicky, E.; Putz, H.; Mumme, W. G.; The Canadian Mineralogist 44 (2006) 465–480; doi:10.2113/gscanmin.44.2.465

data_9004983
_publ_section_title
;
 The crystal structure of berryite, Cu3Ag2Pb3Bi7S16
 Note: y-coordinates corrected by author
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              465
_journal_page_last               480
_journal_paper_doi               10.2113/gscanmin.44.2.465
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source        'Grube Clara, Black Forest, Germany'
_chemical_formula_sum            'Ag2 Bi7 Cu3 Pb3 S16'
_chemical_name_mineral           Berryite
_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                 102.484
_cell_angle_gamma                90
_cell_length_a                   12.703
_cell_length_b                   4.0305
_cell_length_c                   28.925
_cell_formula_units_Z            2
_cell_volume                     1445.929
_database_code_amcsd             0006086
_exptl_crystal_density_diffrn    6.899
_cod_original_formula_sum        'Cu3 Ag2 Pb3 Bi7 S16'
_cod_database_code               9004983
The crystal structure of paderaite, Cu7(X0.33Pb1.33Bi11.33)Sum13S22, with X = Cu or Ag: New data and interpretation
Topa, D.; Makovicky, E.; The Canadian Mineralogist 44 (2006) 481–495; doi:10.2113/gscanmin.44.2.481

data_9004984
_publ_section_title
;
 The crystal structure of paderaite, Cu7(X0.33Pb1.33Bi11.33)Sum13S22,
 with X = Cu or Ag: New data and interpretation
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              481
_journal_page_last               495
_journal_paper_doi               10.2113/gscanmin.44.2.481
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source        'Bihor, Romania'
_chemical_formula_sum            'Ag0.2 Bi11.34 Cu7.09 Pb1.37 S22'
_chemical_name_mineral           Paderaite
_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                 105.41
_cell_angle_gamma                90
_cell_length_a                   17.585
_cell_length_b                   3.9386
_cell_length_c                   28.453
_cell_formula_units_Z            2
_cell_volume                     1899.816
_database_code_amcsd             0006087
_exptl_crystal_density_diffrn    6.697
_cod_original_cell_volume        1899.815
_cod_original_formula_sum        'Cu7.09 Ag.2 Pb1.37 Bi11.34 S22'
_cod_database_code               9004984
The crystal structure of paderaite, Cu7(X0.33Pb1.33Bi11.33)Sum13S22, with X = Cu or Ag: New data and interpretation
Topa, D.; Makovicky, E.; The Canadian Mineralogist 44 (2006) 481–495; doi:10.2113/gscanmin.44.2.481

data_9004985
_publ_section_title
;
 The crystal structure of paderaite, Cu7(X0.33Pb1.33Bi11.33)Sum13S22,
 with X = Cu or Ag: New data and interpretation
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              481
_journal_page_last               495
_journal_paper_doi               10.2113/gscanmin.44.2.481
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source        'Swartberg, South Africa'
_chemical_formula_sum            'Bi11.34 Cu7.32 Pb1.34 S22'
_chemical_name_mineral           Paderaite
_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                 105.525
_cell_angle_gamma                90
_cell_length_a                   17.573
_cell_length_b                   3.9426
_cell_length_c                   28.423
_cell_formula_units_Z            2
_cell_volume                     1897.389
_database_code_amcsd             0006088
_exptl_crystal_density_diffrn    6.683
_cod_original_formula_sum        'Cu7.32 Pb1.34 Bi11.34 S22'
_cod_database_code               9004985
The crystal structures of jagueite, Cu2Pd3Se4, and chrisstanleyite, Ag2Pd3Se4
Topa, D.; Makovicky, E.; Balic-Zunic T; The Canadian Mineralogist 44 (2006) 497–505; doi:10.2113/gscanmin.44.2.497

data_9004986
_publ_section_title
;The crystal structures of jagueite, Cu2Pd3Se4, and chrisstanleyite, Ag2Pd3Se4
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              497
_journal_page_last               505
_journal_paper_doi               10.2113/gscanmin.44.2.497
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source        'El Chire, La Rioja, Argentina'
_chemical_formula_sum            'Ag0.1 Cu1.9 Pd3 Se4'
_chemical_name_mineral           Jagueite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.40
_cell_angle_gamma                90
_cell_length_a                   5.672
_cell_length_b                   9.909
_cell_length_c                   6.264
_cell_formula_units_Z            2
_cell_volume                     318.029
_database_code_amcsd             0006089
_exptl_crystal_density_diffrn    8.006
_cod_original_formula_sum        '(Cu1.9 Ag.1) Pd3 Se4'
_cod_database_code               9004986
The crystal structures of jagueite, Cu2Pd3Se4, and chrisstanleyite, Ag2Pd3Se4
Topa, D.; Makovicky, E.; Balic-Zunic T; The Canadian Mineralogist 44 (2006) 497–505; doi:10.2113/gscanmin.44.2.497

data_9004987
_publ_section_title
;The crystal structures of jagueite, Cu2Pd3Se4, and chrisstanleyite, Ag2Pd3Se4
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              497
_journal_page_last               505
_journal_paper_doi               10.2113/gscanmin.44.2.497
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source        'El Chire, La Rioja, Argentina'
_chemical_formula_sum            'Ag1.592 Cu0.4 Pd3 Se4'
_chemical_name_mineral           Chrisstanleyite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.996
_cell_angle_gamma                90
_cell_length_a                   5.676
_cell_length_b                   10.342
_cell_length_c                   6.341
_cell_formula_units_Z            2
_cell_volume                     337.361
_database_code_amcsd             0006090
_exptl_crystal_density_diffrn    8.193
_cod_original_formula_sum        'Ag1.592 Cu.4 Pd3 Se4'
_cod_database_code               9004987
The crystal structure of allochalcoselite, Cu+Cu2+5PbO2(SeO3)2Cl5, a mineral with well-defined Cu+ and Cu2+ positions Locality: fumaroles of the Great Tolbachik fissure eruption, Kamchatka Peninsula, Russia
Krivovichev, S. V.; Filatov, S. K.; Burns, P. C.; Vergasova, L. P.; The Canadian Mineralogist 44 (2006) 507–514; doi:10.2113/gscanmin.44.2.507

data_9004988
_publ_section_title
;The crystal structure of allochalcoselite, Cu+Cu2+5PbO2(SeO3)2Cl5, a mineral
 with well-defined Cu+ and Cu2+ positions Locality: fumaroles of the Great
 Tolbachik fissure eruption, Kamchatka Peninsula, Russia
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              507
_journal_page_last               514
_journal_paper_doi               10.2113/gscanmin.44.2.507
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source
'fumaroles of the Great Tolbachik fissure eruption, Kamchatka Peninsula, Russia'
_chemical_formula_sum            'Cl5 Cu6 O8 Pb Se2'
_chemical_name_mineral           Allochalcoselite
_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                 119.284
_cell_angle_gamma                90
_cell_length_a                   18.468
_cell_length_b                   6.1475
_cell_length_c                   15.314
_cell_formula_units_Z            4
_cell_volume                     1516.443
_database_code_amcsd             0006091
_exptl_crystal_density_diffrn    4.606
_cod_original_formula_sum        'Cu6 Pb Se2 O8 Cl5'
_cod_database_code               9004988
The crystal structure of Pb8O5(OH)2Cl4, a synthetic analogue of blixite?
Krivovichev, S. V.; Burns, P. C.; The Canadian Mineralogist 44 (2006) 515–522; doi:10.2113/gscanmin.44.2.515

data_9004989
_publ_section_title
;
 The crystal structure of Pb8O5(OH)2Cl4, a synthetic analogue of blixite?
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              515
_journal_page_last               522
_journal_paper_doi               10.2113/gscanmin.44.2.515
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_structural     Pb8O5(OH)2Cl4
_chemical_formula_sum            'Cl4 H2 O7 Pb8'
_chemical_name_mineral           Blixite
_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                 102.612
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   26.069
_cell_length_b                   5.8354
_cell_length_c                   22.736
_cell_volume                     3375.215
_database_code_amcsd             0006092
_exptl_crystal_density_diffrn    7.531
_cod_original_cell_volume        3375.216
_cod_original_formula_sum        'Pb8 O7 Cl4 H2'
_cod_database_code               9004989
The crystal structure of stronalsite and a redetermination of the structure of banalsite
Liferovich, R. P.; Locock, A. J.; Mitchell, R. H.; Shpachenko, A. K.; The Canadian Mineralogist 44 (2006) 533–546; doi:10.2113/gscanmin.44.2.533

data_9004990
_publ_section_title
;
 The crystal structure of stronalsite and a
 redetermination of the structure of banalsite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              533
_journal_page_last               546
_journal_paper_doi               10.2113/gscanmin.44.2.533
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source
'Khibina peralkaline complex, Kola alkaline province, Russia'
_chemical_formula_sum            'Al4 Na2 O16 Si4 Sr'
_chemical_name_mineral           Stronalsite
_space_group_IT_number           45
_symmetry_space_group_name_Hall  'I 2 -2c'
_symmetry_space_group_name_H-M   'I b a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.4080
_cell_length_b                   9.8699
_cell_length_c                   16.7083
_cell_formula_units_Z            4
_cell_volume                     1386.557
_database_code_amcsd             0006093
_exptl_crystal_density_diffrn    2.921
_cod_original_formula_sum        'Sr Na2 Al4 Si4 O16'
_cod_database_code               9004990
The crystal structure of stronalsite and a redetermination of the structure of banalsite
Liferovich, R. P.; Locock, A. J.; Mitchell, R. H.; Shpachenko, A. K.; The Canadian Mineralogist 44 (2006) 533–546; doi:10.2113/gscanmin.44.2.533

data_9004991
_publ_section_title
;
 The crystal structure of stronalsite and a
 redetermination of the structure of banalsite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              533
_journal_page_last               546
_journal_paper_doi               10.2113/gscanmin.44.2.533
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source        'Benallt mine, Wales'
_chemical_formula_sum            'Al4 Ba Na2 O16 Si4'
_chemical_name_mineral           Banalsite
_space_group_IT_number           45
_symmetry_space_group_name_Hall  'I 2 -2c'
_symmetry_space_group_name_H-M   'I b a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.5400
_cell_length_b                   10.0127
_cell_length_c                   16.7897
_cell_formula_units_Z            4
_cell_volume                     1435.661
_database_code_amcsd             0006094
_exptl_crystal_density_diffrn    3.052
_cod_original_formula_sum        'Ba Na2 Al4 Si4 O16'
_cod_database_code               9004991
The crystal structure of stronalsite and a redetermination of the structure of banalsite
Liferovich, R. P.; Locock, A. J.; Mitchell, R. H.; Shpachenko, A. K.; The Canadian Mineralogist 44 (2006) 533–546; doi:10.2113/gscanmin.44.2.533

data_9004992
_publ_section_title
;
 The crystal structure of stronalsite and a
 redetermination of the structure of banalsite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              533
_journal_page_last               546
_journal_paper_doi               10.2113/gscanmin.44.2.533
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source        'Langban, Sweden'
_chemical_formula_sum            'Al4 Ba Na2 O16 Si4'
_chemical_name_mineral           Banalsite
_space_group_IT_number           45
_symmetry_space_group_name_Hall  'I 2 -2c'
_symmetry_space_group_name_H-M   'I b a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.5068
_cell_length_b                   9.9811
_cell_length_c                   16.7485
_cell_formula_units_Z            4
_cell_volume                     1422.069
_database_code_amcsd             0006095
_exptl_crystal_density_diffrn    3.081
_cod_original_formula_sum        'Ba Na2 Al4 Si4 O16'
_cod_database_code               9004992
Effects of pressure on the structure of lizardite-1T Sample: at P = 7 kbar
Mellini, M.; Zanazzi, P. F.; European Journal of Mineralogy 1 (1989) 13–19; doi:10.1127/ejm/01/1/0013

data_9004993
_publ_section_title
;
 Effects of pressure on the structure of lizardite-1T
 Sample: at P = 7 kbar
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              13
_journal_page_last               19
_journal_paper_doi               10.1127/ejm/01/1/0013
_journal_volume                  1
_journal_year                    1989
_chemical_compound_source        'Coli, Italy'
_chemical_formula_sum            'Al0.15 Fe0.06 H4 Mg2.82 O9 Si1.94'
_chemical_name_mineral           Lizardite
_space_group_IT_number           157
_symmetry_space_group_name_Hall  'P 3 -2'
_symmetry_space_group_name_H-M   'P 3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.313
_cell_length_b                   5.313
_cell_length_c                   7.227
_cell_volume                     176.672
_database_code_amcsd             0006338
_diffrn_ambient_pressure         7e+05
_exptl_crystal_density_diffrn    2.617
_cod_original_formula_sum        'Mg2.82 Fe.06 Al.15 Si1.94 O9 H4'
_cod_database_code               9004993