LMucko/crystallography-open-database huggingface dataset:
The crystal structure of an anthropogenic Cu-K-Na-hydro-hyddroxyl-carbonate-chloride from Johanngeorgenstadt, Saxony, Germany Locality: Johanngeorgenstadt, Saxony, Germany
Sokolova E V; Hawthorne F C; Roberts A C; The Canadian Mineralogist 41 (2003) 926–936; doi:

data_9004772
_publ_section_title
;The crystal structure of an anthropogenic
 Cu-K-Na-hydro-hyddroxyl-carbonate-chloride from Johanngeorgenstadt, Saxony,
 Germany Locality: Johanngeorgenstadt, Saxony, Germany
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              926
_journal_page_last               936
_journal_volume                  41
_journal_year                    2003
_chemical_compound_source        'Johanngeorgenstadt, Saxony, Germany'
_chemical_formula_structural     K5Na2Cu24(CO3)16Cl3(OH)20(H2O)12
_chemical_formula_sum            'C8 H22 Cl1.5 Cu12 K2.5 Na O40'
_space_group_IT_number           196
_symmetry_space_group_name_Hall  'F 2 2 3'
_symmetry_space_group_name_H-M   'F 2 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   15.463
_cell_length_b                   15.463
_cell_length_c                   15.463
_cell_formula_units_Z            4
_cell_volume                     3697.271
_database_code_amcsd             0005865
_exptl_crystal_density_diffrn    3.045
_cod_original_formula_sum        'Cu12 Na K2.5 C8 Cl1.5 O40 H22'
_cod_database_code               9004772
_amcsd_formula_title             K5Na2Cu24(CO3)16Cl3(OH)20(H2O)12
The relatinship between Cu content and distortion in the atomic structure of melanterite from the Richmond mine, Iron Mountain, California Sample: melant8 Locality: Richmond mine, Iron Mountain, California
Peterson, R. C.; The Canadian Mineralogist 41 (2003) 937–949; doi:10.2113/gscanmin.41.4.937

data_9004773
_publ_section_title
;
 The relatinship between Cu content and distortion in the atomic structure
 of melanterite from the Richmond mine, Iron Mountain, California
 Sample: melant8
 Locality: Richmond mine, Iron Mountain, California
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              937
_journal_page_last               949
_journal_paper_doi               10.2113/gscanmin.41.4.937
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'Fe H14 O11 S'
_chemical_name_mineral           Melanterite
_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                 105.81
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.04
_cell_length_b                   6.502
_cell_length_c                   10.952
_cell_volume                     961.966
_exptl_crystal_density_diffrn    1.920
_cod_depositor_comments
;

2017-09-06
Z value inserted to be consistent with given formula
Water oxygens renamed so they are recognized as oxygens
                 miguel
;
_cod_original_formula_sum        'Fe S O11 H14'
_cod_database_code               9004773
_database_code_amcsd 0005866
The relatinship between Cu content and distortion in the atomic structure of melanterite from the Richmond mine, Iron Mountain, California Sample: M10b
Peterson, R. C.; The Canadian Mineralogist 41 (2003) 937–949; doi:10.2113/gscanmin.41.4.937

data_9004774
_publ_section_title
;
 The relatinship between Cu content and distortion in the atomic structure
 of melanterite from the Richmond mine, Iron Mountain, California
 Sample: M10b
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              937
_journal_page_last               949
_journal_paper_doi               10.2113/gscanmin.41.4.937
_journal_volume                  41
_journal_year                    2003
_chemical_compound_source        'Richmond mine, Iron Mountain, California'
_chemical_formula_sum            'Cu0.2 Fe1.8 H28 O22 S2'
_chemical_name_mineral           Melanterite
_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                 105.75
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.060
_cell_length_b                   6.505
_cell_length_c                   10.943
_cell_volume                     963.273
_database_code_amcsd             0005867
_exptl_crystal_density_diffrn    1.922
_cod_original_formula_sum        'Fe1.8 Cu.2 S2 O22 H28'
_cod_database_code               9004774
The relatinship between Cu content and distortion in the atomic structure of melanterite from the Richmond mine, Iron Mountain, California Sample: 98-rp-53
Peterson, R. C.; The Canadian Mineralogist 41 (2003) 937–949; doi:10.2113/gscanmin.41.4.937

data_9004775
_publ_section_title
;
 The relatinship between Cu content and distortion in the atomic structure
 of melanterite from the Richmond mine, Iron Mountain, California
 Sample: 98-rp-53
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              937
_journal_page_last               949
_journal_paper_doi               10.2113/gscanmin.41.4.937
_journal_volume                  41
_journal_year                    2003
_chemical_compound_source        'Richmond mine, Iron Mountain, California'
_chemical_formula_sum            'Cu0.415 Fe1.535 H28 O22 S2 Zn0.05'
_chemical_name_mineral           Melanterite
_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                 105.69
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.071
_cell_length_b                   6.505
_cell_length_c                   10.958
_cell_volume                     965.633
_database_code_amcsd             0005868
_exptl_crystal_density_diffrn    1.925
_cod_original_formula_sum        'Fe1.535 Cu.415 Zn.05 S2 O22 H28'
_cod_database_code               9004775
The relatinship between Cu content and distortion in the atomic structure of melanterite from the Richmond mine, Iron Mountain, California Sample: n73
Peterson, R. C.; The Canadian Mineralogist 41 (2003) 937–949; doi:10.2113/gscanmin.41.4.937

data_9004776
_publ_section_title
;
 The relatinship between Cu content and distortion in the atomic structure
 of melanterite from the Richmond mine, Iron Mountain, California
 Sample: n73
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              937
_journal_page_last               949
_journal_paper_doi               10.2113/gscanmin.41.4.937
_journal_volume                  41
_journal_year                    2003
_chemical_compound_source        'Richmond mine, Iron Mountain, California'
_chemical_formula_sum            'Cu0.48 Fe1.52 H28 O22 S2'
_chemical_name_mineral           Melanterite
_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                 105.77
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.079
_cell_length_b                   6.505
_cell_length_c                   10.947
_cell_volume                     964.833
_database_code_amcsd             0005869
_exptl_crystal_density_diffrn    1.927
_cod_original_formula_sum        'Fe1.52 Cu.48 S2 O22 H28'
_cod_database_code               9004776
The relatinship between Cu content and distortion in the atomic structure of melanterite from the Richmond mine, Iron Mountain, California Sample: m2
Peterson, R. C.; The Canadian Mineralogist 41 (2003) 937–949; doi:10.2113/gscanmin.41.4.937

data_9004777
_publ_section_title
;
 The relatinship between Cu content and distortion in the atomic structure
 of melanterite from the Richmond mine, Iron Mountain, California
 Sample: m2
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              937
_journal_page_last               949
_journal_paper_doi               10.2113/gscanmin.41.4.937
_journal_volume                  41
_journal_year                    2003
_chemical_compound_source        'Richmond mine, Iron Mountain, California'
_chemical_formula_sum            'Cu0.172 Fe1.303 H28 O22 S2 Zn0.525'
_chemical_name_mineral           Melanterite
_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                 105.63
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.081
_cell_length_b                   6.510
_cell_length_c                   10.997
_cell_volume                     970.789
_database_code_amcsd             0005870
_exptl_crystal_density_diffrn    1.924
_cod_original_formula_sum        'Fe1.303 Cu.172 Zn.525 S2 O22 H28'
_cod_database_code               9004777
The relatinship between Cu content and distortion in the atomic structure of melanterite from the Richmond mine, Iron Mountain, California Sample: m40a
Peterson, R. C.; The Canadian Mineralogist 41 (2003) 937–949; doi:10.2113/gscanmin.41.4.937

data_9004778
_publ_section_title
;
 The relatinship between Cu content and distortion in the atomic structure
 of melanterite from the Richmond mine, Iron Mountain, California
 Sample: m40a
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              937
_journal_page_last               949
_journal_paper_doi               10.2113/gscanmin.41.4.937
_journal_volume                  41
_journal_year                    2003
_chemical_compound_source        'Richmond mine, Iron Mountain, California'
_chemical_formula_sum            'Cu0.78 Fe1.22 H28 O22 S2'
_chemical_name_mineral           Melanterite
_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                 105.81
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.077
_cell_length_b                   6.497
_cell_length_c                   10.949
_cell_volume                     963.495
_database_code_amcsd             0005871
_exptl_crystal_density_diffrn    1.937
_cod_original_formula_sum        'Fe1.22 Cu.78 S2 O22 H28'
_cod_database_code               9004778
The relatinship between Cu content and distortion in the atomic structure of melanterite from the Richmond mine, Iron Mountain, California Sample: 98-rp-36
Peterson, R. C.; The Canadian Mineralogist 41 (2003) 937–949; doi:10.2113/gscanmin.41.4.937

data_9004779
_publ_section_title
;
 The relatinship between Cu content and distortion in the atomic structure
 of melanterite from the Richmond mine, Iron Mountain, California
 Sample: 98-rp-36
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              937
_journal_page_last               949
_journal_paper_doi               10.2113/gscanmin.41.4.937
_journal_volume                  41
_journal_year                    2003
_chemical_compound_source        'Richmond mine, Iron Mountain, California'
_chemical_formula_sum            'Cu0.14 Fe1.212 H28 O22 S2 Zn0.648'
_chemical_name_mineral           Melanterite
_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                 105.61
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.052
_cell_length_b                   6.496
_cell_length_c                   11.026
_cell_volume                     969.350
_database_code_amcsd             0005872
_exptl_crystal_density_diffrn    1.930
_cod_original_formula_sum        'Fe1.212 Cu.14 Zn.648 S2 O22 H28'
_cod_database_code               9004779
The relatinship between Cu content and distortion in the atomic structure of melanterite from the Richmond mine, Iron Mountain, California Sample: mati-19
Peterson, R. C.; The Canadian Mineralogist 41 (2003) 937–949; doi:10.2113/gscanmin.41.4.937

data_9004780
_publ_section_title
;
 The relatinship between Cu content and distortion in the atomic structure
 of melanterite from the Richmond mine, Iron Mountain, California
 Sample: mati-19
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              937
_journal_page_last               949
_journal_paper_doi               10.2113/gscanmin.41.4.937
_journal_volume                  41
_journal_year                    2003
_chemical_compound_source        'Richmond mine, Iron Mountain, California'
_chemical_formula_sum            'Cu0.45 Fe1.117 H28 O22 S2 Zn0.433'
_chemical_name_mineral           Melanterite
_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                 105.65
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.080
_cell_length_b                   6.498
_cell_length_c                   10.955
_cell_volume                     965.136
_database_code_amcsd             0005873
_exptl_crystal_density_diffrn    1.939
_cod_original_formula_sum        'Fe1.117 Cu.45 Zn.433 S2 O22 H28'
_cod_database_code               9004780
The relatinship between Cu content and distortion in the atomic structure of melanterite from the Richmond mine, Iron Mountain, California Sample: mati-6
Peterson, R. C.; The Canadian Mineralogist 41 (2003) 937–949; doi:10.2113/gscanmin.41.4.937

data_9004781
_publ_section_title
;
 The relatinship between Cu content and distortion in the atomic structure
 of melanterite from the Richmond mine, Iron Mountain, California
 Sample: mati-6
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              937
_journal_page_last               949
_journal_paper_doi               10.2113/gscanmin.41.4.937
_journal_volume                  41
_journal_year                    2003
_chemical_compound_source        'Richmond mine, Iron Mountain, California'
_chemical_formula_sum            'Cu0.203 Fe0.965 H28 O22 S2 Zn0.832'
_chemical_name_mineral           Melanterite
_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                 105.62
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.073
_cell_length_b                   6.510
_cell_length_c                   10.954
_cell_volume                     966.491
_database_code_amcsd             0005874
_exptl_crystal_density_diffrn    1.943
_cod_original_formula_sum        'Fe.965 Zn.832 Cu.203 S2 O22 H28'
_cod_database_code               9004781
The relatinship between Cu content and distortion in the atomic structure of melanterite from the Richmond mine, Iron Mountain, California Sample: mati-7
Peterson, R. C.; The Canadian Mineralogist 41 (2003) 937–949; doi:10.2113/gscanmin.41.4.937

data_9004782
_publ_section_title
;
 The relatinship between Cu content and distortion in the atomic structure
 of melanterite from the Richmond mine, Iron Mountain, California
 Sample: mati-7
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              937
_journal_page_last               949
_journal_paper_doi               10.2113/gscanmin.41.4.937
_journal_volume                  41
_journal_year                    2003
_chemical_compound_source        'Richmond mine, Iron Mountain, California'
_chemical_formula_sum            'Cu0.682 Fe0.706 H28 O22 S2 Zn0.612'
_chemical_name_mineral           Melanterite
_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                 105.76
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.100
_cell_length_b                   6.518
_cell_length_c                   10.886
_cell_volume                     962.855
_database_code_amcsd             0005875
_exptl_crystal_density_diffrn    1.956
_cod_original_formula_sum        'Fe.706 Zn.612 Cu.682 S2 O22 H28'
_cod_database_code               9004782
The relatinship between Cu content and distortion in the atomic structure of melanterite from the Richmond mine, Iron Mountain, California Sample: 91rs209c
Peterson, R. C.; The Canadian Mineralogist 41 (2003) 937–949; doi:10.2113/gscanmin.41.4.937

data_9004783
_publ_section_title
;
 The relatinship between Cu content and distortion in the atomic structure
 of melanterite from the Richmond mine, Iron Mountain, California
 Sample: 91rs209c
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              937
_journal_page_last               949
_journal_paper_doi               10.2113/gscanmin.41.4.937
_journal_volume                  41
_journal_year                    2003
_chemical_compound_source        'Richmond mine, Iron Mountain, California'
_chemical_formula_sum            'Cu0.079 Fe0.688 H28 O22 S2 Zn1.232'
_chemical_name_mineral           Melanterite
_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                 105.58
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.066
_cell_length_b                   6.506
_cell_length_c                   10.938
_cell_volume                     964.194
_database_code_amcsd             0005876
_exptl_crystal_density_diffrn    1.958
_cod_original_formula_sum        'Fe.688 Zn1.232 Cu.079 S2 O22 H28'
_cod_database_code               9004783
Chains of edge-sharing OPb4 tetrahedra in the structure of Pb4O(VO4)2 and in related minerals and inorganic compounds
Krivovichev, S. V.; Burns, P. C.; The Canadian Mineralogist 41 (2003) 951–958; doi:10.2113/gscanmin.41.4.951

data_9004784
_publ_section_title
;
 Chains of edge-sharing OPb4 tetrahedra in the structure of Pb4O(VO4)2 and in
 related minerals and inorganic compounds
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              951
_journal_page_last               958
_journal_paper_doi               10.2113/gscanmin.41.4.951
_journal_volume                  41
_journal_year                    2003
_chemical_formula_structural     Pb4O(VO4)2
_chemical_formula_sum            'O9 Pb4 V2'
_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                   22.7276
_cell_length_b                   11.5346
_cell_length_c                   7.4349
_cell_formula_units_Z            8
_cell_volume                     1949.087
_database_code_amcsd             0005877
_exptl_crystal_density_diffrn    7.325
_cod_original_formula_sum        'Pb4 V2 O9'
_cod_database_code               9004784
_amcsd_formula_title             Pb4O(VO4)2
Anorthominasragrite, VO(SO4)(H2O)5, a new mineral species from Temple Mountain, Emery County, Utah, U.S.A.: Description, crystal structure and hydrogen bonding Locality: Temple Mountain, Emery County, Utah, USA
Cooper, M. A.; Hawthorne, F. C.; Grice, J. D.; Haynes, P.; The Canadian Mineralogist 41 (2003) 959–979; doi:10.2113/gscanmin.41.4.959

data_9004785
_publ_section_title
;Anorthominasragrite, VO(SO4)(H2O)5, a new mineral species from Temple
 Mountain, Emery County, Utah, U.S.A.: Description, crystal structure and
 hydrogen bonding Locality: Temple Mountain, Emery County, Utah, USA
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              959
_journal_page_last               979
_journal_paper_doi               10.2113/gscanmin.41.4.959
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'H10 O10 S V'
_chemical_name_mineral           Anorthominasragrite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                78.96
_cell_angle_beta                 71.86
_cell_angle_gamma                65.41
_cell_formula_units_Z            2
_cell_length_a                   7.533
_cell_length_b                   7.792
_cell_length_c                   7.818
_cell_volume                     395.517
_exptl_crystal_density_diffrn    2.125
_cod_depositor_comments
;

2017-09-06
Z value inserted to be consistent with dimeric structure
Formula fixed accordingly
Water molecules renamed so they are recognized as oxygen
                 miguel
;
_cod_original_formula_sum        'V S O10 H10'
_cod_database_code               9004785
_database_code_amcsd 0005878
Hillite, a new member of the fairfieldite group: Its description and crystal structure
Yakubovich, O. V.; Massa, W.; Liferovich, R. P.; Gavrilenko, P. G.; Bogdanova, A. N.; Tuisku, P.; The Canadian Mineralogist 41 (2003) 981–988; doi:10.2113/gscanmin.41.4.981

data_9004786
_publ_section_title
;Hillite, a new member of the fairfieldite group: Its description and crystal
 structure
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              981
_journal_page_last               988
_journal_paper_doi               10.2113/gscanmin.41.4.981
_journal_volume                  41
_journal_year                    2003
_chemical_formula_sum            'Ca2 H4 Mg0.377 O10 P2 Zn0.623'
_chemical_name_mineral           Hillite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.41
_cell_angle_beta                 108.59
_cell_angle_gamma                107.19
_cell_length_a                   5.736
_cell_length_b                   6.767
_cell_length_c                   5.462
_cell_formula_units_Z            1
_cell_volume                     186.049
_database_code_amcsd             0005879
_exptl_crystal_density_diffrn    3.178
_cod_original_formula_sum        'Ca2 (Zn.623 Mg.377) P2 O10 H4'
_cod_database_code               9004786