LMucko/crystallography-open-database huggingface dataset:
Qaqarssukite-(Ce), a new barium-cerium fluorcarbonate mineral species from Qaqarssuk, Greenland
Grice, J. D.; Gault, R. A.; Rowe, R.; Johnsen, O.; The Canadian Mineralogist 44 (2006) 1137–1146; doi:10.2113/gscanmin.44.5.1137

data_9010588
_publ_section_title
;
 Qaqarssukite-(Ce), a new barium-cerium fluorcarbonate mineral species from
 Qaqarssuk, Greenland
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1137
_journal_page_last               1146
_journal_paper_doi               10.2113/gscanmin.44.5.1137
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source        'Qaqarssuk, Greenland'
_chemical_formula_sum            'C2 Ba Ce F O6'
_chemical_name_mineral           Qaqarssukite-(Ce)
_space_group_IT_number           165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.242
_cell_length_b                   7.242
_cell_length_c                   18.192
_cell_formula_units_Z            6
_cell_volume                     826.282
_database_code_amcsd             0006109
_exptl_crystal_density_diffrn    5.022
_cod_original_formula_sum        'Ce Ba C2 O6 F'
_cod_database_code               9010588
The crystal structure of (Be,_)(V,Ti)3O6, a mineral related to kyzylkumite
Raade, G.; Balic-Zunic T; The Canadian Mineralogist 44 (2006) 1147–1158; doi:10.2113/gscanmin.44.5.1147

data_9010589
_publ_section_title
;
 The crystal structure of (Be,_)(V,Ti)3O6, a mineral related to kyzylkumite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1147
_journal_page_last               1158
_journal_paper_doi               10.2113/gscanmin.44.5.1147
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source
'Byrud farm, Eidsvoll, Akershus, South Norway'
_chemical_formula_structural     BeV1.5Ti1.5O6
_chemical_formula_sum            'Be0.84 O6 Ti1.5 V1.5'
_chemical_name_mineral           Byrudite
_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                   9.982
_cell_length_b                   8.502
_cell_length_c                   4.5480
_cell_formula_units_Z            4
_cell_volume                     385.975
_database_code_amcsd             0006110
_exptl_crystal_density_diffrn    4.333
_cod_original_formula_sum        'Be.84 (V1.5 Ti1.5) O6'
_cod_database_code               9010589
The crystal structure of near-end-member ferroaxinite from an iron-contaminated pegmatite at Malesov, Czech Republic Locality: Malesov, Czech Republic
Filip, J.; Kolitsch, U.; Novak, M.; Schneeweiss, O.; The Canadian Mineralogist 44 (2006) 1159–1170; doi:10.2113/gscanmin.44.5.1159

data_9010590
_publ_section_title
;The crystal structure of near-end-member ferroaxinite from an
 iron-contaminated pegmatite at Malesov, Czech Republic Locality: Malesov,
 Czech Republic
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1159
_journal_page_last               1170
_journal_paper_doi               10.2113/gscanmin.44.5.1159
_journal_volume                  44
_journal_year                    2006
_chemical_formula_sum            'Al1.984 B Ca2 Fe0.958 H Mg0.059 O16 Si4'
_chemical_name_mineral           Ferro-axinite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.84
_cell_angle_beta                 98.17
_cell_angle_gamma                77.33
_cell_formula_units_Z            2
_cell_length_a                   7.152
_cell_length_b                   9.206
_cell_length_c                   8.962
_cell_volume                     569.858
_database_code_amcsd             0006111
_exptl_crystal_density_diffrn    3.315
_cod_original_formula_sum        'Ca2 Fe.958 Mg.059 Al1.984 B Si4 O16 H'
_cod_database_code               9010590
The crystal structure of near-end-member ferroaxinite from an iron-contaminated pegmatite at Malesov, Czech Republic Locality: Malesov, Czech Republic
Filip, J.; Kolitsch, U.; Novak, M.; Schneeweiss, O.; The Canadian Mineralogist 44 (2006) 1159–1170; doi:10.2113/gscanmin.44.5.1159

data_9010591
_publ_section_title
;The crystal structure of near-end-member ferroaxinite from an
 iron-contaminated pegmatite at Malesov, Czech Republic Locality: Malesov,
 Czech Republic
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1159
_journal_page_last               1170
_journal_paper_doi               10.2113/gscanmin.44.5.1159
_journal_volume                  44
_journal_year                    2006
_chemical_formula_sum            'Al1.984 B Ca2 Fe0.958 H Mg0.059 O16 Si4'
_chemical_name_mineral           Axinite-(Fe)
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.84
_cell_angle_beta                 98.17
_cell_angle_gamma                77.33
_cell_formula_units_Z            2
_cell_length_a                   7.152
_cell_length_b                   9.206
_cell_length_c                   8.962
_cell_volume                     569.858
_exptl_crystal_density_diffrn    3.315
_cod_duplicate_entry             9010590
_cod_original_formula_sum        'Ca2 Fe.958 Mg.059 Al1.984 B Si4 O16 H'
_cod_database_code               9010591
Short-range order in amphiboles from the Bear Lake diggings, Ontario Sample: 757
Hawthorne, F. C.; Oberti, R.; Martin, R. F.; The Canadian Mineralogist 44 (2006) 1171–1179; doi:10.2113/gscanmin.44.5.1171

data_9010592
_publ_section_title
;
 Short-range order in amphiboles from the Bear Lake diggings, Ontario
 Sample: 757
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1171
_journal_page_last               1179
_journal_paper_doi               10.2113/gscanmin.44.5.1171
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source
'Bear Lake diggings, Bancroft area of Ontario, Canada'
_chemical_formula_sum
'Al0.03 Ca1.63 F0.58 Fe0.25 H3.42 Mg4.7 Mn0.02 Na1.18 O23.42 Si8'
_chemical_name_mineral           Tremolite
_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                 104.66
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.868
_cell_length_b                   18.033
_cell_length_c                   5.273
_cell_volume                     907.781
_database_code_amcsd             0006113
_exptl_crystal_density_diffrn    3.060
_cod_original_formula_sum
'Na1.18 Mg4.7 Fe.25 Mn.02 Al.03 Ca1.63 Si8 O23.42 F.58 H3.42'
_cod_database_code               9010592
Short-range order in amphiboles from the Bear Lake diggings, Ontario Sample: 721
Hawthorne, F. C.; Oberti, R.; Martin, R. F.; The Canadian Mineralogist 44 (2006) 1171–1179; doi:10.2113/gscanmin.44.5.1171

data_9010593
_publ_section_title
;
 Short-range order in amphiboles from the Bear Lake diggings, Ontario
 Sample: 721
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1171
_journal_page_last               1179
_journal_paper_doi               10.2113/gscanmin.44.5.1171
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source
'Bear Lake diggings, Bancroft area of Ontario, Canada'
_chemical_formula_sum
;Al0.66 Ca1.23 F1.21 Fe1.4 H0.79 K0.3 Li0.02 Mg3.43 Mn0.05 Na1.28 O22.79
 Si7.38 Ti0.06
;
_chemical_name_mineral           Tremolite
_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                 104.72
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.888
_cell_length_b                   18.022
_cell_length_c                   5.290
_cell_volume                     911.746
_database_code_amcsd             0006114
_exptl_crystal_density_diffrn    3.174
_cod_original_formula_sum
;Na1.28 K.3 Mg3.43 Fe1.4 Mn.05 Ti.06 Al.66 Li.02 Ca1.23 Si7.38 O22.79 (F1.21
 H.79)
;
_cod_database_code               9010593
Short-range order in amphiboles from the Bear Lake diggings, Ontario Sample: 761
Hawthorne, F. C.; Oberti, R.; Martin, R. F.; The Canadian Mineralogist 44 (2006) 1171–1179; doi:10.2113/gscanmin.44.5.1171

data_9010594
_publ_section_title
;
 Short-range order in amphiboles from the Bear Lake diggings, Ontario
 Sample: 761
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1171
_journal_page_last               1179
_journal_paper_doi               10.2113/gscanmin.44.5.1171
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source
'Bear Lake diggings, Bancroft area of Ontario, Canada'
_chemical_formula_sum
'Al0.11 Ca1.46 F0.71 Fe0.27 H3.29 K0.18 Mg4.71 Mn0.01 Na0.86 O23.29 Si7.9'
_chemical_name_mineral           Magnesiokatophorite
_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                 104.58
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.866
_cell_length_b                   18.019
_cell_length_c                   5.274
_cell_volume                     907.395
_database_code_amcsd             0006115
_exptl_crystal_density_diffrn    3.037
_cod_original_formula_sum
'Na.86 K.18 Mg4.71 Fe.27 Mn.01 Al.11 Ca1.46 Si7.9 O23.29 F.71 H3.29'
_cod_database_code               9010594
Short-range order in amphiboles from the Bear Lake diggings, Ontario Sample: 762
Hawthorne, F. C.; Oberti, R.; Martin, R. F.; The Canadian Mineralogist 44 (2006) 1171–1179; doi:10.2113/gscanmin.44.5.1171

data_9010595
_publ_section_title
;
 Short-range order in amphiboles from the Bear Lake diggings, Ontario
 Sample: 762
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1171
_journal_page_last               1179
_journal_paper_doi               10.2113/gscanmin.44.5.1171
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source
'Bear Lake diggings, Bancroft area of Ontario, Canada'
_chemical_formula_sum
;Al0.702 Ca1.18 F1.36 Fe1.5 H0.64 K0.32 Li0.02 Mg3.28 Mn0.05 Na1.33 O22.64
 Si7.368 Ti0.08
;
_chemical_name_mineral           Magnesiokatophorite
_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                 104.66
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.887
_cell_length_b                   18.023
_cell_length_c                   5.292
_cell_volume                     912.300
_database_code_amcsd             0006116
_exptl_crystal_density_diffrn    3.186
_cod_original_formula_sum
;Na1.33 K.32 Mg3.28 Fe1.5 Mn.05 Ti.08 Al.702 Li.02 Ca1.18 Si7.368 O22.64
 (F1.36 H.64)
;
_cod_database_code               9010595
The topology of hydrogen bonding in brandtite, collinsite and fairfieldite
Herwig, S.; Hawthorne, F. C.; The Canadian Mineralogist 44 (2006) 1181–1196; doi:10.2113/gscanmin.44.5.1181

data_9010596
_publ_section_title
;
 The topology of hydrogen bonding in brandtite, collinsite and fairfieldite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1181
_journal_page_last               1196
_journal_paper_doi               10.2113/gscanmin.44.5.1181
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source        'Harstig mine, Harstigen, Sweden'
_chemical_formula_sum            'As2 Ca1.9 Fe0.01 H4 Mg0.1 Mn0.88 O10 Pb0.1'
_chemical_name_mineral           Brandtite
_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                 108.00
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.877
_cell_length_b                   12.957
_cell_length_c                   5.675
_cell_volume                     410.991
_database_code_amcsd             0006117
_exptl_crystal_density_diffrn    3.734
_cod_original_formula_sum        '(Ca1.9 Pb.1) Mn.88 Mg.1 Fe.01 As2 O10 H4'
_cod_database_code               9010596
The topology of hydrogen bonding in brandtite, collinsite and fairfieldite
Herwig, S.; Hawthorne, F. C.; The Canadian Mineralogist 44 (2006) 1181–1196; doi:10.2113/gscanmin.44.5.1181

data_9010597
_publ_section_title
;
 The topology of hydrogen bonding in brandtite, collinsite and fairfieldite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1181
_journal_page_last               1196
_journal_paper_doi               10.2113/gscanmin.44.5.1181
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source        'Rapid Creek, Yukon Territory, Canada'
_chemical_formula_sum            'Ca2 Fe0.06 H4 Mg0.92 Mn0.01 O10 P2'
_chemical_name_mineral           Collinsite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.31
_cell_angle_beta                 108.56
_cell_angle_gamma                107.25
_cell_formula_units_Z            1
_cell_length_a                   5.729
_cell_length_b                   6.778
_cell_length_c                   5.444
_cell_volume                     185.565
_database_code_amcsd             0006118
_exptl_crystal_density_diffrn    2.974
_cod_original_formula_sum        'Ca2 Mg.92 Mn.01 Fe.06 P2 O10 H4'
_cod_database_code               9010597
The topology of hydrogen bonding in brandtite, collinsite and fairfieldite
Herwig, S.; Hawthorne, F. C.; The Canadian Mineralogist 44 (2006) 1181–1196; doi:10.2113/gscanmin.44.5.1181

data_9010598
_publ_section_title
;
 The topology of hydrogen bonding in brandtite, collinsite and fairfieldite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1181
_journal_page_last               1196
_journal_paper_doi               10.2113/gscanmin.44.5.1181
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source        'Foote mine, North Carolina, USA'
_chemical_formula_sum            'Ca2 Fe0.23 H4 Mg0.01 Mn0.73 O10 P2'
_chemical_name_mineral           Fairfieldite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.39
_cell_angle_beta                 108.63
_cell_angle_gamma                90.29
_cell_formula_units_Z            1
_cell_length_a                   5.795
_cell_length_b                   6.576
_cell_length_c                   5.496
_cell_volume                     193.230
_database_code_amcsd             0006119
_exptl_crystal_density_diffrn    3.088
_cod_original_formula_sum        'Ca2 Mn.73 Mg.01 Fe.23 P2 O10 H4'
_cod_database_code               9010598
Refinement of the crystal structure of billietite, Ba [(UO2)6 O4 (OH)6] (H2O)8
Finch, R. J.; Burns, P. C.; Hawthorne, F. C.; Ewing, R. C.; The Canadian Mineralogist 44 (2006) 1197–1205; doi:10.2113/gscanmin.44.5.1197

data_9010599
_publ_section_title
;Refinement of the crystal structure of billietite,
 Ba [(UO2)6 O4 (OH)6] (H2O)8
;
_journal_issue                   5
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1197
_journal_page_last               1205
_journal_paper_doi               10.2113/gscanmin.44.5.1197
_journal_volume                  44
_journal_year                    2006
_chemical_compound_source        'Shaba, Democratic Republic of Congo'
_chemical_formula_sum            'Ba H22 O30 U6'
_chemical_name_mineral           Billietite
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2ab'
_symmetry_space_group_name_H-M   'P b n 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.0941
_cell_length_b                   30.211
_cell_length_c                   7.1563
_cell_volume                     2614.732
_database_code_amcsd             0006120
_exptl_crystal_density_diffrn    5.211
_cod_original_formula_sum        'Ba U6 O30 H6'
_cod_database_code               9010599
_chemical_compound_source) data element.
;
An X-ray and neutron-diffraction study of synthetic ferricopiapite, Fe14/3(SO4)6(OD,OH)2(D2O,H2O)20, and ab-initio calculations on the structure of magnesiocopiapite MgFe4(SO4)6(OH)2(H2O)20 Locality: synthetic
Majzlan, J.; Kiefer, B.; The Canadian Mineralogist 44 (2006) 1227–1237; doi:10.2113/gscanmin.44.5.1227

data_9010600
_publ_section_title
;An X-ray and neutron-diffraction study of synthetic ferricopiapite,
 Fe14/3(SO4)6(OD,OH)2(D2O,H2O)20, and ab-initio calculations on the structure
 of magnesiocopiapite MgFe4(SO4)6(OH)2(H2O)20 Locality: synthetic
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1227
_journal_page_last               1237
_journal_paper_doi               10.2113/gscanmin.44.5.1227
_journal_volume                  44
_journal_year                    2006
_chemical_formula_sum            'D42 Fe4.633 O46 S6'
_chemical_name_mineral           'Ferricopiapite (deuterated)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93.933
_cell_angle_beta                 102.212
_cell_angle_gamma                98.900
_cell_formula_units_Z            1
_cell_length_a                   7.3926
_cell_length_b                   18.3806
_cell_length_c                   7.3361
_cell_volume                     957.232
_exptl_crystal_density_diffrn    2.206
_cod_original_formula_sum        'Fe4.633 S6 O46 D42'
_cod_database_code               9010600
_database_code_amcsd 0006121
An X-ray and neutron-diffraction study of synthetic ferricopiapite, Fe14/3(SO4)6(OD,OH)2(D2O,H2O)20, and ab-initio calculations on the structure of magnesiocopiapite MgFe4(SO4)6(OH)2(H2O)20 Note: hypothetical structure from ab-initio calculations
Majzlan, J.; Kiefer, B.; The Canadian Mineralogist 44 (2006) 1227–1237; doi:10.2113/gscanmin.44.5.1227

data_9010601
_publ_section_title
;An X-ray and neutron-diffraction study of synthetic ferricopiapite,
 Fe14/3(SO4)6(OD,OH)2(D2O,H2O)20, and ab-initio calculations on the structure
 of magnesiocopiapite MgFe4(SO4)6(OH)2(H2O)20 Note: hypothetical structure
 from ab-initio calculations
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1227
_journal_page_last               1237
_journal_paper_doi               10.2113/gscanmin.44.5.1227
_journal_volume                  44
_journal_year                    2006
_chemical_formula_sum            'Fe4 H42 Mg O46 S6'
_chemical_name_mineral           Magnesiocopiapite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                95.49
_cell_angle_beta                 102.71
_cell_angle_gamma                98.71
_cell_formula_units_Z            1
_cell_length_a                   7.5515
_cell_length_b                   18.601
_cell_length_c                   7.4460
_cell_volume                     999.446
_database_code_amcsd             0006122
_exptl_crystal_density_diffrn    2.024
_cod_original_formula_sum        'Mg Fe4 S6 O46 H42'
_cod_database_code               9010601
Crystal chemistry of mercury sulfohalides of composition Hg3S2Hal2 (Hal: Cl,Br). I. Crystal structures of two polymorphic modifications of Hg3S2Cl2-xBrx (x ~ 0.5) Sample: compound I
Pervukhina, N. V.; Vasil'ev, V. I.; Magarill, S. A.; Borisov, S. V.; Naumov, D. Y.; The Canadian Mineralogist 44 (2006) 1239–1246; doi:10.2113/gscanmin.44.5.1239

data_9010602
_publ_section_title
;
 Crystal chemistry of mercury sulfohalides of composition Hg3S2Hal2
 (Hal: Cl,Br). I. Crystal structures of two polymorphic modifications of
 Hg3S2Cl2-xBrx (x ~ 0.5)
 Sample: compound I
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1239
_journal_page_last               1246
_journal_paper_doi               10.2113/gscanmin.44.5.1239
_journal_volume                  44
_journal_year                    2006
_chemical_formula_structural     Hg3S2Cl1.5Br.5
_chemical_formula_sum            'Br0.624 Cl1.376 Hg3 S2'
_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                 90.08
_cell_angle_gamma                90
_cell_length_a                   16.841
_cell_length_b                   9.128
_cell_length_c                   9.435
_cell_formula_units_Z            8
_cell_volume                     1450.391
_database_code_amcsd             0006123
_exptl_crystal_density_diffrn    7.003
_cod_original_formula_sum        'Hg3 S2 Cl1.376 Br.624'
_cod_database_code               9010602
_amcsd_formula_title             Hg3S2Cl1.5Br.5
Crystal chemistry of mercury sulfohalides of composition Hg3S2Hal2 (Hal: Cl,Br). I. Crystal structures of two polymorphic modifications of Hg3S2Cl2-xBrx (x ~ 0.5) Sample: compound II
Pervukhina, N. V.; Vasil'ev, V. I.; Magarill, S. A.; Borisov, S. V.; Naumov, D. Y.; The Canadian Mineralogist 44 (2006) 1239–1246; doi:10.2113/gscanmin.44.5.1239

data_9010603
_publ_section_title
;
 Crystal chemistry of mercury sulfohalides of composition Hg3S2Hal2
 (Hal: Cl,Br). I. Crystal structures of two polymorphic modifications of
 Hg3S2Cl2-xBrx (x ~ 0.5)
 Sample: compound II
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1239
_journal_page_last               1246
_journal_paper_doi               10.2113/gscanmin.44.5.1239
_journal_volume                  44
_journal_year                    2006
_chemical_formula_structural     Hg3S2Cl1.54Br.46
_chemical_formula_sum            'Br7.27 Cl24.73 Hg48 S32'
_space_group_IT_number           223
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.0409
_cell_length_b                   18.0409
_cell_length_c                   18.0409
_cell_formula_units_Z            2
_cell_volume                     5871.845
_database_code_amcsd             0006124
_exptl_crystal_density_diffrn    6.851
_cod_original_sg_symbol_H-M      'P m 3 n'
_cod_original_formula_sum        'Hg48 S32 Cl24.73 Br7.27'
_cod_database_code               9010603
_amcsd_formula_title             Hg3S2Cl1.54Br.46