LMucko/crystallography-open-database huggingface dataset:
Jarosite - hydronium jarosite solid solution series with full iron occupancy: Mineralogy and crystal chemistry Sample: I
Basciano, L. C.; Peterson, R. C.; American Mineralogist 92 (2007) 1464–1473; doi:10.2138/am.2007.2432

data_9010315
_publ_section_title
;
 Jarosite - hydronium jarosite solid solution series with
 full iron occupancy: Mineralogy and crystal chemistry
 Sample: I
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1464
_journal_page_last               1473
_journal_paper_doi               10.2138/am.2007.2432
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe3 H6.05 K0.95 O14 S2'
_chemical_name_mineral           Jarosite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.30293
_cell_length_b                   7.30293
_cell_length_c                   17.2043
_cell_formula_units_Z            3
_cell_volume                     794.624
_database_code_amcsd             0004437
_exptl_crystal_density_diffrn    3.128
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'K.95 H6.05 Fe3 S2 O14'
_cod_database_code               9010315
Jarosite - hydronium jarosite solid solution series with full iron occupancy: Mineralogy and crystal chemistry Sample: J
Basciano, L. C.; Peterson, R. C.; American Mineralogist 92 (2007) 1464–1473; doi:10.2138/am.2007.2432

data_9010316
_publ_section_title
;
 Jarosite - hydronium jarosite solid solution series with
 full iron occupancy: Mineralogy and crystal chemistry
 Sample: J
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1464
_journal_page_last               1473
_journal_paper_doi               10.2138/am.2007.2432
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe2.79 H6.13 K0.87 O14 S2'
_chemical_name_mineral           Jarosite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.3063
_cell_length_b                   7.3063
_cell_length_c                   17.0341
_cell_formula_units_Z            3
_cell_volume                     787.490
_database_code_amcsd             0004438
_exptl_crystal_density_diffrn    3.063
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'K.87 H6.13 Fe2.79 S2 O14'
_cod_database_code               9010316
Jarosite - hydronium jarosite solid solution series with full iron occupancy: Mineralogy and crystal chemistry Sample: 7-13-2-1
Basciano, L. C.; Peterson, R. C.; American Mineralogist 92 (2007) 1464–1473; doi:10.2138/am.2007.2432

data_9010317
_publ_section_title
;
 Jarosite - hydronium jarosite solid solution series with
 full iron occupancy: Mineralogy and crystal chemistry
 Sample: 7-13-2-1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1464
_journal_page_last               1473
_journal_paper_doi               10.2138/am.2007.2432
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        'Rio Tonto, Huelva, Spain'
_chemical_formula_sum            'Fe3 H7 K0.02 O14 S2'
_chemical_name_mineral           Jarosite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.3478
_cell_length_b                   7.3478
_cell_length_c                   17.0280
_cell_formula_units_Z            3
_cell_volume                     796.176
_database_code_amcsd             0004439
_exptl_crystal_density_diffrn    2.900
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'K.02 H7 Fe3 S2 O14'
_cod_database_code               9010317
Jarosite - hydronium jarosite solid solution series with full iron occupancy: Mineralogy and crystal chemistry Sample: 7-11-3-8 Note: could not reproduce reported bond lengths
Basciano, L. C.; Peterson, R. C.; American Mineralogist 92 (2007) 1464–1473; doi:10.2138/am.2007.2432

data_9010318
_publ_section_title
;
 Jarosite - hydronium jarosite solid solution series with
 full iron occupancy: Mineralogy and crystal chemistry
 Sample: 7-11-3-8
 Note: could not reproduce reported bond lengths
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1464
_journal_page_last               1473
_journal_paper_doi               10.2138/am.2007.2432
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        'Rio Tonto, Huelva, Spain'
_chemical_formula_sum            'Fe2.73 H6.16 K0.84 O14 S2'
_chemical_name_mineral           Jarosite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.3128
_cell_length_b                   7.3128
_cell_formula_units_Z            3
_cell_length_c                   17.1973
_cell_volume                     796.450
_database_code_amcsd             0004440
_exptl_crystal_density_diffrn    3.000
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'K.84 H6.16 Fe2.73 S2 O14'
_cod_database_code               9010318
Jarosite - hydronium jarosite solid solution series with full iron occupancy: Mineralogy and crystal chemistry Locality: synthetic Sample: A
Basciano, L. C.; Peterson, R. C.; American Mineralogist 92 (2007) 1464–1473; doi:10.2138/am.2007.2432

data_9010319
_publ_section_title
;
 Jarosite - hydronium jarosite solid solution series with
 full iron occupancy: Mineralogy and crystal chemistry
 Locality: synthetic
 Sample: A
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1464
_journal_page_last               1473
_journal_paper_doi               10.2138/am.2007.2432
_journal_volume                  92
_journal_year                    2007
_chemical_formula_sum            'Fe3 H6.92 O14 S2'
_chemical_name_mineral           Hydroniumjarosite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.3552
_cell_length_b                   7.3552
_cell_length_c                   16.9945
_cell_formula_units_Z            3
_cell_volume                     796.211
_exptl_crystal_density_diffrn    2.895
_cod_duplicate_entry             9010307
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'H6.92 Fe3 S2 O14'
_cod_database_code               9010319
Jarosite - hydronium jarosite solid solution series with full iron occupancy: Mineralogy and crystal chemistry Locality: synthetic Sample: B
Basciano, L. C.; Peterson, R. C.; American Mineralogist 92 (2007) 1464–1473; doi:10.2138/am.2007.2432

data_9010320
_publ_section_title
;
 Jarosite - hydronium jarosite solid solution series with
 full iron occupancy: Mineralogy and crystal chemistry
 Locality: synthetic
 Sample: B
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1464
_journal_page_last               1473
_journal_paper_doi               10.2138/am.2007.2432
_journal_volume                  92
_journal_year                    2007
_chemical_formula_sum            'Fe3 H6.86 K0.1 O14 S2'
_chemical_name_mineral           Hydroniumjarosite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.3521
_cell_length_b                   7.3521
_cell_length_c                   17.0108
_cell_formula_units_Z            3
_cell_volume                     796.303
_exptl_crystal_density_diffrn    2.918
_cod_duplicate_entry             9010308
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'K.1 H6.86 Fe3 S2 O14'
_cod_database_code               9010320
Jarosite - hydronium jarosite solid solution series with full iron occupancy: Mineralogy and crystal chemistry Locality: synthetic Sample: C
Basciano, L. C.; Peterson, R. C.; American Mineralogist 92 (2007) 1464–1473; doi:10.2138/am.2007.2432

data_9010321
_publ_section_title
;
 Jarosite - hydronium jarosite solid solution series with
 full iron occupancy: Mineralogy and crystal chemistry
 Locality: synthetic
 Sample: C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1464
_journal_page_last               1473
_journal_paper_doi               10.2138/am.2007.2432
_journal_volume                  92
_journal_year                    2007
_chemical_formula_sum            'Fe3 H6.81 K0.2 O14 S2'
_chemical_name_mineral           Hydroniumjarosite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.3428
_cell_length_b                   7.3428
_cell_length_c                   17.0316
_cell_formula_units_Z            3
_cell_volume                     795.261
_exptl_crystal_density_diffrn    2.946
_cod_duplicate_entry             9010309
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'K.2 H6.81 Fe3 S2 O14'
_cod_database_code               9010321
Jarosite - hydronium jarosite solid solution series with full iron occupancy: Mineralogy and crystal chemistry Locality: synthetic Sample: D
Basciano, L. C.; Peterson, R. C.; American Mineralogist 92 (2007) 1464–1473; doi:10.2138/am.2007.2432

data_9010322
_publ_section_title
;
 Jarosite - hydronium jarosite solid solution series with
 full iron occupancy: Mineralogy and crystal chemistry
 Locality: synthetic
 Sample: D
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1464
_journal_page_last               1473
_journal_paper_doi               10.2138/am.2007.2432
_journal_volume                  92
_journal_year                    2007
_chemical_formula_sum            'Fe3 H6.65 K0.35 O14 S2'
_chemical_name_mineral           Hydroniumjarosite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.3373
_cell_length_b                   7.3373
_cell_length_c                   17.1030
_cell_formula_units_Z            3
_cell_volume                     797.399
_exptl_crystal_density_diffrn    2.974
_cod_duplicate_entry             9010310
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'K.35 H6.65 Fe3 S2 O14'
_cod_database_code               9010322
The crystal structures of pyroxenes along the jadeite - hedenbergite and jadeite - aegirine joins Sample: Jd100Ae0
Nestola, F.; Tribaudino, M.; Ballaran, T. B.; Liebske, C.; Bruno, M.; American Mineralogist 92 (2007) 1492–1501; doi:10.2138/am.2007.2540

data_9010323
_publ_section_title
;
 The crystal structures of pyroxenes along the jadeite - hedenbergite and
 jadeite - aegirine joins
 Sample: Jd100Ae0
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1492
_journal_page_last               1501
_journal_paper_doi               10.2138/am.2007.2540
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al Na O6 Si2'
_chemical_name_mineral           Jadeite
_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                 107.624
_cell_angle_gamma                90
_cell_length_a                   9.4278
_cell_length_b                   8.5651
_cell_length_c                   5.2262
_cell_formula_units_Z            4
_cell_volume                     402.208
_database_code_amcsd             0004445
_exptl_crystal_density_diffrn    3.338
_cod_original_formula_sum        'Na Al Si2 O6'
_cod_database_code               9010323
The crystal structures of pyroxenes along the jadeite - hedenbergite and jadeite - aegirine joins Sample: Jd74Ae26
Nestola, F.; Tribaudino, M.; Ballaran, T. B.; Liebske, C.; Bruno, M.; American Mineralogist 92 (2007) 1492–1501; doi:10.2138/am.2007.2540

data_9010324
_publ_section_title
;
 The crystal structures of pyroxenes along the jadeite - hedenbergite and
 jadeite - aegirine joins
 Sample: Jd74Ae26
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1492
_journal_page_last               1501
_journal_paper_doi               10.2138/am.2007.2540
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al0.74 Fe0.26 Na O6 Si2'
_chemical_name_mineral           Jadeite
_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                 107.570
_cell_angle_gamma                90
_cell_length_a                   9.4781
_cell_length_b                   8.6180
_cell_length_c                   5.2449
_cell_formula_units_Z            4
_cell_volume                     408.429
_database_code_amcsd             0004446
_exptl_crystal_density_diffrn    3.409
_cod_original_formula_sum        'Na (Al.74 Fe.26) Si2 O6'
_cod_database_code               9010324
The crystal structures of pyroxenes along the jadeite - hedenbergite and jadeite - aegirine joins Sample: Jd35Ae65
Nestola, F.; Tribaudino, M.; Ballaran, T. B.; Liebske, C.; Bruno, M.; American Mineralogist 92 (2007) 1492–1501; doi:10.2138/am.2007.2540

data_9010325
_publ_section_title
;
 The crystal structures of pyroxenes along the jadeite - hedenbergite and
 jadeite - aegirine joins
 Sample: Jd35Ae65
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1492
_journal_page_last               1501
_journal_paper_doi               10.2138/am.2007.2540
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al0.35 Fe0.65 Na O6 Si2'
_chemical_name_mineral           Aegirine
_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                 107.600
_cell_angle_gamma                90
_cell_length_a                   9.5663
_cell_length_b                   8.7040
_cell_length_c                   5.2733
_cell_formula_units_Z            4
_cell_volume                     418.529
_database_code_amcsd             0004447
_exptl_crystal_density_diffrn    3.506
_cod_original_formula_sum        'Na (Al.35 Fe.65) Si2 O6'
_cod_database_code               9010325
The crystal structures of pyroxenes along the jadeite - hedenbergite and jadeite - aegirine joins Sample: Jd0Ae100
Nestola, F.; Tribaudino, M.; Ballaran, T. B.; Liebske, C.; Bruno, M.; American Mineralogist 92 (2007) 1492–1501; doi:10.2138/am.2007.2540

data_9010326
_publ_section_title
;
 The crystal structures of pyroxenes along the jadeite - hedenbergite and
 jadeite - aegirine joins
 Sample: Jd0Ae100
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1492
_journal_page_last               1501
_journal_paper_doi               10.2138/am.2007.2540
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe Na O6 Si2'
_chemical_name_mineral           Aegirine
_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                 107.579
_cell_angle_gamma                90
_cell_length_a                   9.6623
_cell_length_b                   8.8000
_cell_length_c                   5.2956
_cell_formula_units_Z            4
_cell_volume                     429.248
_database_code_amcsd             0004448
_exptl_crystal_density_diffrn    3.575
_cod_original_formula_sum        'Na Fe Si2 O6'
_cod_database_code               9010326
The crystal structures of pyroxenes along the jadeite - hedenbergite and jadeite - aegirine joins Sample: Jd53Hd47
Nestola, F.; Tribaudino, M.; Ballaran, T. B.; Liebske, C.; Bruno, M.; American Mineralogist 92 (2007) 1492–1501; doi:10.2138/am.2007.2540

data_9010327
_publ_section_title
;
 The crystal structures of pyroxenes along the jadeite - hedenbergite and
 jadeite - aegirine joins
 Sample: Jd53Hd47
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1492
_journal_page_last               1501
_journal_paper_doi               10.2138/am.2007.2540
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al0.52 Ca0.47 Fe0.51 Na0.53 O6 Si2'
_chemical_name_mineral           Jadeite
_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                 106.725
_cell_angle_gamma                90
_cell_length_a                   9.6031
_cell_length_b                   8.7735
_cell_length_c                   5.2656
_cell_formula_units_Z            4
_cell_volume                     424.874
_database_code_amcsd             0004449
_exptl_crystal_density_diffrn    3.528
_cod_original_formula_sum        '(Na.53 Ca.47) Fe.51 Al.52 Si2 O6'
_cod_database_code               9010327
The crystal structures of pyroxenes along the jadeite - hedenbergite and jadeite - aegirine joins Sample: Jd24Hde76
Nestola, F.; Tribaudino, M.; Ballaran, T. B.; Liebske, C.; Bruno, M.; American Mineralogist 92 (2007) 1492–1501; doi:10.2138/am.2007.2540

data_9010328
_publ_section_title
;
 The crystal structures of pyroxenes along the jadeite - hedenbergite and
 jadeite - aegirine joins
 Sample: Jd24Hde76
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1492
_journal_page_last               1501
_journal_paper_doi               10.2138/am.2007.2540
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al0.24 Ca0.76 Fe0.76 Na0.24 O6 Si2'
_chemical_name_mineral           Hedenbergite
_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                 105.904
_cell_angle_gamma                90
_cell_length_a                   9.7340
_cell_length_b                   8.9103
_cell_length_c                   5.2682
_cell_formula_units_Z            4
_cell_volume                     439.436
_database_code_amcsd             0004450
_exptl_crystal_density_diffrn    3.583
_cod_original_formula_sum        '(Na.24 Ca.76) (Al.24 Fe.76) Si2 O6'
_cod_database_code               9010328
The crystal structures of pyroxenes along the jadeite - hedenbergite and jadeite - aegirine joins Sample: Jd0Hd100
Nestola, F.; Tribaudino, M.; Ballaran, T. B.; Liebske, C.; Bruno, M.; American Mineralogist 92 (2007) 1492–1501; doi:10.2138/am.2007.2540

data_9010329
_publ_section_title
;
 The crystal structures of pyroxenes along the jadeite - hedenbergite and
 jadeite - aegirine joins
 Sample: Jd0Hd100
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1492
_journal_page_last               1501
_journal_paper_doi               10.2138/am.2007.2540
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca0.99 Fe1.01 O6 Si2'
_chemical_name_mineral           Hedenbergite
_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                 104.862
_cell_angle_gamma                90
_cell_length_a                   9.8447
_cell_length_b                   9.0234
_cell_length_c                   5.2509
_cell_formula_units_Z            4
_cell_volume                     450.847
_database_code_amcsd             0004451
_exptl_crystal_density_diffrn    3.657
_cod_original_formula_sum        'Ca.99 Fe1.01 Si2 O6'
_cod_database_code               9010329
The crystal structure of meurigite
Kampf, A. R.; Pluth, J. J.; Chen, Y. S.; American Mineralogist 92 (2007) 1518–1524; doi:10.2138/am.2007.2486

data_9010330
_publ_section_title
;
 The crystal structure of meurigite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1518
_journal_page_last               1524
_journal_paper_doi               10.2138/am.2007.2486
_journal_volume                  92
_journal_year                    2007
_chemical_compound_source        'Santa Rita mine, Grant County, New Mexico'
_chemical_formula_sum            'Fe7.452 H21 K0.924 O37.435 P5.454'
_chemical_name_mineral           Meurigite-K
_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                 106.987
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   29.018
_cell_length_b                   5.1892
_cell_length_c                   19.695
_cell_volume                     2836.288
_database_code_amcsd             0004452
_exptl_crystal_density_diffrn    2.907
_cod_original_formula_sum        'K.924 Fe7.452 P5.454 O37.435 H21'
_cod_database_code               9010330