LMucko/crystallography-open-database huggingface dataset:
The crystal chemistry of the zippeite group Sample: SZIPPNH4I
Burns, P. C.; Deely, K. M.; Hayden, L. A.; The Canadian Mineralogist 41 (2003) 687–706; doi:10.2113/gscanmin.41.3.687

data_9004756
_publ_section_title
;
 The crystal chemistry of the zippeite group
 Sample: SZIPPNH4I
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              687
_journal_page_last               706
_journal_paper_doi               10.2113/gscanmin.41.3.687
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'H2 N4 O21 S2 U4'
_chemical_name_mineral           Zippeite
_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                 104.117
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.6987
_cell_length_b                   14.166
_cell_length_c                   17.847
_cell_volume                     2132.794
_database_code_amcsd             0005849
_exptl_crystal_density_diffrn    4.392
_cod_original_formula_sum        'U4 S2 N4 O21 H2'
_cod_database_code               9004756
_cod_depositor_comments
;The nitrogen containing sites are clearly ammonium ions, but the
declared formula was calculated without taking their hydrogens into account.
The attached hydrogen counts were nevertheless set to NH4 counts, leading
to a discrepancy between the declared and calculated summary formula.

This issue needs to be checked with the upstream maintainers (AMCSD) and in the
original publication.

Saulius Gra\<zulis
2023-05-23
;
The crystal chemistry of the zippeite group Sample: SZIPPNH4II
Burns, P. C.; Deely, K. M.; Hayden, L. A.; The Canadian Mineralogist 41 (2003) 687–706; doi:10.2113/gscanmin.41.3.687

data_9004757
_publ_section_title
;
 The crystal chemistry of the zippeite group
 Sample: SZIPPNH4II
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              687
_journal_page_last               706
_journal_paper_doi               10.2113/gscanmin.41.3.687
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'N2 O10 S U2'
_chemical_name_mineral           Zippeite
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.2520
_cell_length_b                   8.7748
_cell_length_c                   17.1863
_cell_volume                     2149.292
_exptl_crystal_density_diffrn    4.303
_cod_original_formula_sum        'U2 S O10 N2'
_cod_database_code               9004757
The crystal chemistry of the zippeite group Sample: Magnesium-zippeite
Burns, P. C.; Deely, K. M.; Hayden, L. A.; The Canadian Mineralogist 41 (2003) 687–706; doi:10.2113/gscanmin.41.3.687

data_9004758
_publ_section_title
;
 The crystal chemistry of the zippeite group
 Sample: Magnesium-zippeite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              687
_journal_page_last               706
_journal_paper_doi               10.2113/gscanmin.41.3.687
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'H14 Mg2 O27 S2 U4'
_chemical_name_mineral           Zippeite
_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                 104.131
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.6514
_cell_length_b                   14.1939
_cell_length_c                   17.7211
_cell_volume                     2110.251
_database_code_amcsd             0005851
_exptl_crystal_density_diffrn    4.756
_cod_original_formula_sum        'U4 S2 Mg2 O27 H14'
_cod_database_code               9004758
The crystal chemistry of the zippeite group Sample: Zinc-zippeite
Burns, P. C.; Deely, K. M.; Hayden, L. A.; The Canadian Mineralogist 41 (2003) 687–706; doi:10.2113/gscanmin.41.3.687

data_9004759
_publ_section_title
;
 The crystal chemistry of the zippeite group
 Sample: Zinc-zippeite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              687
_journal_page_last               706
_journal_paper_doi               10.2113/gscanmin.41.3.687
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'H14 O27 S2 U4 Zn2'
_chemical_name_mineral           Zippeite
_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                 104.041
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.6437
_cell_length_b                   14.1664
_cell_length_c                   17.701
_cell_volume                     2102.730
_database_code_amcsd             0005852
_exptl_crystal_density_diffrn    5.032
_cod_original_formula_sum        'U4 S2 Zn2 O27 H14'
_cod_database_code               9004759
The crystal chemistry of the zippeite group Sample: Cobalt-zippeite
Burns, P. C.; Deely, K. M.; Hayden, L. A.; The Canadian Mineralogist 41 (2003) 687–706; doi:10.2113/gscanmin.41.3.687

data_9004760
_publ_section_title
;
 The crystal chemistry of the zippeite group
 Sample: Cobalt-zippeite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              687
_journal_page_last               706
_journal_paper_doi               10.2113/gscanmin.41.3.687
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'Co2 H14 O27 S2 U4'
_chemical_name_mineral           Zippeite
_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                 104.092
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.650
_cell_length_b                   14.252
_cell_length_c                   17.742
_cell_volume                     2121.408
_database_code_amcsd             0005853
_exptl_crystal_density_diffrn    4.948
_cod_original_formula_sum        'U4 S2 Co2 O27 H14'
_cod_database_code               9004760
The crystal chemistry of the zippeite group Sample: SZIPPMg
Burns, P. C.; Deely, K. M.; Hayden, L. A.; The Canadian Mineralogist 41 (2003) 687–706; doi:10.2113/gscanmin.41.3.687

data_9004761
_publ_section_title
;
 The crystal chemistry of the zippeite group
 Sample: SZIPPMg
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              687
_journal_page_last               706
_journal_paper_doi               10.2113/gscanmin.41.3.687
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'H22 Mg2 O31 S2 U4'
_chemical_name_mineral           Zippeite
_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                 102.119
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.6457
_cell_length_b                   17.2004
_cell_length_c                   18.4642
_cell_volume                     2684.608
_database_code_amcsd             0005854
_exptl_crystal_density_diffrn    3.917
_cod_original_formula_sum        'U4 Mg2 S2 O31 H22'
_cod_database_code               9004761
Crystal chemistry of uranyl molybdates. VIII. Crystal structures of Na3Tl3[(UO2)(MoO4)4], Na13-xTl3+x[(UO2)(MoO4)3]4(H2O)6+x (x=0.1), Na3Tl5[(UO2)(MoO4)2]2(H2O)3 and Na2[(UO2)(MoO4)2](H2O)4 Sample 1
Krivovichev, S. V.; Burns, P. C.; The Canadian Mineralogist 41 (2003) 707–719; doi:10.2113/gscanmin.41.3.707

data_9004762
_publ_section_title
;
 Crystal chemistry of uranyl molybdates. VIII. Crystal structures of
 Na3Tl3[(UO2)(MoO4)4], Na13-xTl3+x[(UO2)(MoO4)3]4(H2O)6+x (x=0.1),
 Na3Tl5[(UO2)(MoO4)2]2(H2O)3 and Na2[(UO2)(MoO4)2](H2O)4
 Sample 1
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              707
_journal_page_last               719
_journal_paper_doi               10.2113/gscanmin.41.3.707
_journal_volume                  41
_journal_year                    2003
_chemical_formula_structural     Na3Tl3[(UO2)(MoO4)4]
_chemical_formula_sum            'Mo4 Na3 O18 Tl3 U'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   20.5823
_cell_length_b                   7.4391
_cell_length_c                   26.2514
_cell_formula_units_Z            8
_cell_volume                     4019.451
_database_code_amcsd             0005855
_exptl_crystal_density_diffrn    5.261
_cod_original_formula_sum        'U Mo4 Tl3 Na3 O18'
_cod_database_code               9004762
_amcsd_formula_title             Na3Tl3[(UO2)(MoO4)4]
Crystal chemistry of uranyl molybdates. VIII. Crystal structures of Na3Tl3[(UO2)(MoO4)4], Na13-xTl3+x[(UO2)(MoO4)3]4(H2O)6+x (x=0.1), Na3Tl5[(UO2)(MoO4)2]2(H2O)3 and Na2[(UO2)(MoO4)2](H2O)4 Sample 2
Krivovichev, S. V.; Burns, P. C.; The Canadian Mineralogist 41 (2003) 707–719; doi:10.2113/gscanmin.41.3.707

data_9004763
_publ_section_title
;
 Crystal chemistry of uranyl molybdates. VIII. Crystal structures of
 Na3Tl3[(UO2)(MoO4)4], Na13-xTl3+x[(UO2)(MoO4)3]4(H2O)6+x (x=0.1),
 Na3Tl5[(UO2)(MoO4)2]2(H2O)3 and Na2[(UO2)(MoO4)2](H2O)4
 Sample 2
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              707
_journal_page_last               719
_journal_paper_doi               10.2113/gscanmin.41.3.707
_journal_volume                  41
_journal_year                    2003
_chemical_formula_structural     'Na13-xTl3+x[(UO2)(MoO4)3]4(H2O)6+x (x=0.1)'
_chemical_formula_sum            'H14 Mo12 Na12.9 O62.8 Tl3.1 U4'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.828
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   19.7942
_cell_length_b                   7.1913
_cell_length_c                   22.8835
_cell_volume                     3227.021
_database_code_amcsd             0005856
_exptl_crystal_density_diffrn    4.171
_cod_original_formula_sum        'U4 Tl3.1 Mo12 Na12.9 O62.8 H14'
_cod_database_code               9004763
_amcsd_formula_title             'Na13-xTl3+x[(UO2)(MoO4)3]4(H2O)6+x (x=0.1)'
Crystal chemistry of uranyl molybdates. VIII. Crystal structures of Na3Tl3[(UO2)(MoO4)4], Na13-xTl3+x[(UO2)(MoO4)3]4(H2O)6+x (x=0.1), Na3Tl5[(UO2)(MoO4)2]2(H2O)3 and Na2[(UO2)(MoO4)2](H2O)4 Sample 3
Krivovichev, S. V.; Burns, P. C.; The Canadian Mineralogist 41 (2003) 707–719; doi:10.2113/gscanmin.41.3.707

data_9004764
_publ_section_title
;
 Crystal chemistry of uranyl molybdates. VIII. Crystal structures of
 Na3Tl3[(UO2)(MoO4)4], Na13-xTl3+x[(UO2)(MoO4)3]4(H2O)6+x (x=0.1),
 Na3Tl5[(UO2)(MoO4)2]2(H2O)3 and Na2[(UO2)(MoO4)2](H2O)4
 Sample 3
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              707
_journal_page_last               719
_journal_paper_doi               10.2113/gscanmin.41.3.707
_journal_volume                  41
_journal_year                    2003
_chemical_formula_structural     Na3Tl5[(UO2)(MoO4)2]2(H2O)3
_chemical_formula_sum            'H4 Mo3 Na1.5 O15.5 Tl2.5 U'
_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                   10.7662
_cell_length_b                   11.9621
_cell_length_c                   12.8995
_cell_volume                     1661.280
_database_code_amcsd             0005857
_exptl_crystal_density_diffrn    5.291
_cod_original_formula_sum        'U Tl2.5 Mo3 Na1.5 O15.5 H4'
_cod_database_code               9004764
_amcsd_formula_title             Na3Tl5[(UO2)(MoO4)2]2(H2O)3
Crystal chemistry of uranyl molybdates. VIII. Crystal structures of Na3Tl3[(UO2)(MoO4)4], Na13-xTl3+x[(UO2)(MoO4)3]4(H2O)6+x (x=0.1), Na3Tl5[(UO2)(MoO4)2]2(H2O)3 and Na2[(UO2)(MoO4)2](H2O)4 Sample 4
Krivovichev, S. V.; Burns, P. C.; The Canadian Mineralogist 41 (2003) 707–719; doi:10.2113/gscanmin.41.3.707

data_9004765
_publ_section_title
;
 Crystal chemistry of uranyl molybdates. VIII. Crystal structures of
 Na3Tl3[(UO2)(MoO4)4], Na13-xTl3+x[(UO2)(MoO4)3]4(H2O)6+x (x=0.1),
 Na3Tl5[(UO2)(MoO4)2]2(H2O)3 and Na2[(UO2)(MoO4)2](H2O)4
 Sample 4
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              707
_journal_page_last               719
_journal_paper_doi               10.2113/gscanmin.41.3.707
_journal_volume                  41
_journal_year                    2003
_chemical_formula_structural     Na2[(UO2)(MoO4)2](H2O)4
_chemical_formula_sum            'H6 Mo2 Na2 O14 U'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.743
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.9023
_cell_length_b                   11.5149
_cell_length_c                   13.8151
_cell_volume                     1348.810
_database_code_amcsd             0005858
_exptl_crystal_density_diffrn    3.476
_cod_original_formula_sum        'U Mo2 Na2 O14 H6'
_cod_database_code               9004765
_amcsd_formula_title             Na2[(UO2)(MoO4)2](H2O)4
Single-crystal XRD, TEM, and thermal studies of the satellite reflection in nepheline
Hassan, I.; Antao, S. M.; Hersi, A. A. M.; The Canadian Mineralogist 41 (2003) 759–783; doi:10.2113/gscanmin.41.3.759

data_9004766
_publ_section_title
;
 Single-crystal XRD, TEM, and thermal studies of the satellite
 reflection in nepheline
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              759
_journal_page_last               783
_journal_paper_doi               10.2113/gscanmin.41.3.759
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'Al4 K0.675 Na3 O16 Si4'
_chemical_name_mineral           Nepheline
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.9853
_cell_length_b                   9.9853
_cell_length_c                   8.3689
_cell_formula_units_Z            2
_cell_volume                     722.639
_database_code_amcsd             0005859
_exptl_crystal_density_diffrn    2.627
_cod_original_formula_sum        'K.675 Na3 Al4 Si4 O16'
_cod_database_code               9004766
Ferriallanite-(Ce), CaCeFeAlFe(SiO4)(Si2O7)O(OH), a new member of the epidote group: Description, X-ray and Mossbauer study: Errata Note: supercedes data from The Canadian Mineralogist 40 (2002) 1641-1648
Kartashov, P. M.; Ferraris, G.; Ivaldi, G.; Sokolova, E. V.; McCammon, C. A.; The Canadian Mineralogist 41 (2003) 829–830; doi:10.2113/gscanmin.41.3.829

data_9004767
_publ_section_title
;
 Ferriallanite-(Ce), CaCeFeAlFe(SiO4)(Si2O7)O(OH), a new member of the
 epidote group: Description, X-ray and Mossbauer study: Errata
 Note: supercedes data from The Canadian Mineralogist 40 (2002) 1641-1648
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              829
_journal_page_last               830
_journal_paper_doi               10.2113/gscanmin.41.3.829
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum
'Al0.68 Ca1.08 Ce0.92 Fe2.17 H Mn0.07 O13 Si2.94 Ti0.14'
_chemical_name_mineral           Ferriallanite-(Ce)
_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                 115.02
_cell_angle_gamma                90
_cell_length_a                   8.962
_cell_length_b                   5.836
_cell_length_c                   10.182
_cell_formula_units_Z            2
_cell_volume                     482.568
_database_code_amcsd             0005860
_exptl_crystal_density_diffrn    4.225
_cod_original_formula_sum
'(Ca1.08 Ce.92) Si2.94 Al.68 Fe2.17 Ti.14 Mn.07 O13 H'
_cod_database_code               9004767
Morphology, composition and structure of low-temperature P4/nnc high-fluorine vesuvianite whiskers from Polar Yakutia, Russia Sample: VES1 Locality: Dokichan River, Tas-Khayakhtakh Mountains, Russia
Galuskin, E. V.; Armbruster, T.; Malsy, A.; Galuskina, I. O.; Sitarz, M.; The Canadian Mineralogist 41 (2003) 843–856; doi:10.2113/gscanmin.41.4.843

data_9004768
_publ_section_title
;Morphology, composition and structure of low-temperature P4/nnc high-fluorine
 vesuvianite whiskers from Polar Yakutia, Russia Sample: VES1 Locality:
 Dokichan River, Tas-Khayakhtakh Mountains, Russia
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              843
_journal_page_last               856
_journal_paper_doi               10.2113/gscanmin.41.4.843
_journal_volume                  41
_journal_year                    2003
_chemical_compound_source
'Dokichan River, Tas-Khayakhtakh Mountains, Russia'
_chemical_formula_sum
;Al5.032 Ca9.46 Cl0.216 F1.44 Fe0.664 H2.844 Mg0.62 Na0.04 O37.344 Si8.955
 Ti0.216
;
_chemical_name_mineral           Vesuvianite
_space_group_IT_number           126
_symmetry_space_group_name_Hall  '-P 4a 2bc'
_symmetry_space_group_name_H-M   'P 4/n n c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   15.536
_cell_length_b                   15.536
_cell_length_c                   11.781
_cell_formula_units_Z            4
_cell_volume                     2843.548
_database_code_amcsd             0005861
_exptl_crystal_density_diffrn    3.422
_cod_original_sg_symbol_H-M      'P 4/n n c'
_cod_original_formula_sum
'Ca9.46 Na.04 Fe.664 Al5.032 Mg.62 Ti.216 Si8.955 O37.344 Cl.216 F1.44 H2.844'
_cod_database_code               9004768
Morphology, composition and structure of low-temperature P4/nnc high-fluorine vesuvianite whiskers from Polar Yakutia, Russia Sample: VES2 Locality: Dokichan River, Tas-Khayakhtakh Mountains, Russia
Galuskin, E. V.; Armbruster, T.; Malsy, A.; Galuskina, I. O.; Sitarz, M.; The Canadian Mineralogist 41 (2003) 843–856; doi:10.2113/gscanmin.41.4.843

data_9004769
_publ_section_title
;Morphology, composition and structure of low-temperature P4/nnc high-fluorine
 vesuvianite whiskers from Polar Yakutia, Russia Sample: VES2 Locality:
 Dokichan River, Tas-Khayakhtakh Mountains, Russia
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              843
_journal_page_last               856
_journal_paper_doi               10.2113/gscanmin.41.4.843
_journal_volume                  41
_journal_year                    2003
_chemical_compound_source
'Dokichan River, Tas-Khayakhtakh Mountains, Russia'
_chemical_formula_sum
'Al5.2 Ca9.46 Cl0.23 F1.674 Fe0.62 H2.6 Mg0.516 Na0.04 O37.1 Si8.948 Ti0.164'
_chemical_name_mineral           Vesuvianite
_space_group_IT_number           126
_symmetry_space_group_name_Hall  '-P 4a 2bc'
_symmetry_space_group_name_H-M   'P 4/n n c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   15.529
_cell_length_b                   15.529
_cell_length_c                   11.772
_cell_formula_units_Z            4
_cell_volume                     2838.816
_database_code_amcsd             0005862
_exptl_crystal_density_diffrn    3.423
_cod_original_sg_symbol_H-M      'P 4/n n c'
_cod_original_formula_sum
'Ca9.46 Na.04 Fe.62 Al5.2 Mg.516 Ti.164 Si8.948 O37.1 Cl.23 F1.674 H2.6'
_cod_database_code               9004769
Morphology, composition and structure of low-temperature P4/nnc high-fluorine vesuvianite whiskers from Polar Yakutia, Russia Sample: VES4 Locality: Dokichan River, Tas-Khayakhtakh Mountains, Russia
Galuskin, E. V.; Armbruster, T.; Malsy, A.; Galuskina, I. O.; Sitarz, M.; The Canadian Mineralogist 41 (2003) 843–856; doi:10.2113/gscanmin.41.4.843

data_9004770
_publ_section_title
;Morphology, composition and structure of low-temperature P4/nnc high-fluorine
 vesuvianite whiskers from Polar Yakutia, Russia Sample: VES4 Locality:
 Dokichan River, Tas-Khayakhtakh Mountains, Russia
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              843
_journal_page_last               856
_journal_paper_doi               10.2113/gscanmin.41.4.843
_journal_volume                  41
_journal_year                    2003
_chemical_compound_source
'Dokichan River, Tas-Khayakhtakh Mountains, Russia'
_chemical_formula_sum
'Al5.428 Ca9.46 Cl0.2 F1.65 Fe0.552 H2.6 Mg0.432 Na0.04 O37.1 Si8.959 Ti0.092'
_chemical_name_mineral           Vesuvianite
_space_group_IT_number           126
_symmetry_space_group_name_Hall  '-P 4a 2bc'
_symmetry_space_group_name_H-M   'P 4/n n c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   15.513
_cell_length_b                   15.513
_cell_length_c                   11.778
_cell_formula_units_Z            4
_cell_volume                     2834.413
_database_code_amcsd             0005863
_exptl_crystal_density_diffrn    3.418
_cod_original_sg_symbol_H-M      'P 4/n n c'
_cod_original_formula_sum
'Ca9.46 Na.04 Fe.552 Al5.428 Mg.432 Ti.092 Si8.959 O37.1 Cl.2 F1.65 H2.6'
_cod_database_code               9004770
The crystal structure of argentojarosite, AgFe3(SO4)2(OH)6
Groat, L. A.; Jambor, J. L.; Pemberton, B. C.; The Canadian Mineralogist 41 (2003) 921–928; doi:10.2113/gscanmin.41.4.921

data_9004771
_publ_section_title
;
 The crystal structure of argentojarosite, AgFe3(SO4)2(OH)6
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              921
_journal_page_last               928
_journal_paper_doi               10.2113/gscanmin.41.4.921
_journal_volume                  41
_journal_year                    2003
_chemical_compound_source
'Tintic Standard mine at Dividend, central Utah'
_chemical_formula_sum            'Ag Al0.12 Fe2.88 H6 O14 S2'
_chemical_name_mineral           Argentojarosite
_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                   7.3398
_cell_length_b                   7.3398
_cell_length_c                   16.538
_cell_volume                     771.582
_exptl_crystal_density_diffrn    3.655
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Ag (Fe2.88 Al.12) S2 O14 H6'
_cod_database_code               9004771