LMucko/crystallography-open-database huggingface dataset:
Crystal structure and chemical formula of schmiederite, Pb2Cu2(OH)4(SeO3)(SeO4), with a comparison to linarite PbCu(OH)2(SO4)
Effenberger, H.; Mineralogy and Petrology 36 (1987) 3–12; doi:10.1007/BF01164365

data_9009822
_publ_section_title
;Crystal structure and chemical formula of schmiederite,
 Pb2Cu2(OH)4(SeO3)(SeO4), with a comparison to linarite PbCu(OH)2(SO4)
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              3
_journal_page_last               12
_journal_paper_doi               10.1007/BF01164365
_journal_volume                  36
_journal_year                    1987
_chemical_compound_source        'Leadhills, Scotland'
_chemical_formula_sum            'Cu H2 O6 Pb S'
_chemical_name_mineral           Linarite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.65
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.701
_cell_length_b                   5.650
_cell_length_c                   4.690
_cell_volume                     250.822
_database_code_amcsd             0014611
_exptl_crystal_density_diffrn    5.307
_cod_original_formula_sum        'Pb Cu S O6 H2'
_cod_database_code               9009822
Crystal structure and chemical formula of schmiederite, Pb2Cu2(OH)4(SeO3)(SeO4), with a comparison to linarite PbCu(OH)2(SO4)
Effenberger, H.; Mineralogy and Petrology 36 (1987) 3–12; doi:10.1007/BF01164365

data_9009823
_publ_section_title
;Crystal structure and chemical formula of schmiederite,
 Pb2Cu2(OH)4(SeO3)(SeO4), with a comparison to linarite PbCu(OH)2(SO4)
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              3
_journal_page_last               12
_journal_paper_doi               10.1007/BF01164365
_journal_volume                  36
_journal_year                    1987
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu2 H4 O11 Pb2 Se2'
_chemical_name_mineral           Schmiederite
_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                 101.96
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.922
_cell_length_b                   5.712
_cell_length_c                   9.396
_cell_volume                     520.954
_database_code_amcsd             0014612
_exptl_crystal_density_diffrn    5.606
_cod_original_formula_sum        'Pb2 Cu2 Se2 O11 H4'
_cod_database_code               9009823
The structure of freedite, Pb8Cu(AsO3)2O3Cl5
Pertlik, F.; Mineralogy and Petrology 36 (1987) 85–92; doi:10.1007/BF01164482

data_9009824
_publ_section_title
;
 The structure of freedite, Pb8Cu(AsO3)2O3Cl5
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              85
_journal_page_last               92
_journal_paper_doi               10.1007/BF01164482
_journal_volume                  36
_journal_year                    1987
_chemical_compound_source        'Langban mine, Varmland, Sweden'
_chemical_formula_sum            'As2 Cl5 Cu O9 Pb8'
_chemical_name_mineral           Freedite
_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                 105.73
_cell_angle_gamma                90
_cell_length_a                   13.578
_cell_length_b                   20.099
_cell_length_c                   7.465
_cell_formula_units_Z            4
_cell_volume                     1960.936
_database_code_amcsd             0014613
_exptl_crystal_density_diffrn    7.426
_cod_original_formula_sum        'Pb8 As2 Cu Cl5 O9'
_cod_database_code               9009824
Cyrilovite from Italy: structure and crystal chemistry
Cozzupoli, D.; Grubessi, O.; Mottana, A.; Zanazzi, P. F.; Mineralogy and Petrology 37 (1987) 1–14; doi:10.1007/BF01163154

data_9009825
_publ_section_title
;
 Cyrilovite from Italy: structure and crystal chemistry
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              1
_journal_page_last               14
_journal_paper_doi               10.1007/BF01163154
_journal_volume                  37
_journal_year                    1987
_chemical_compound_source        'Bosa, Sardinia, Italy'
_chemical_formula_sum            'Fe3 H8 Na O14 P2'
_chemical_name_mineral           Cyrilovite
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.313
_cell_length_b                   7.313
_cell_length_c                   19.3150
_cell_volume                     1032.966
_database_code_amcsd             0014614
_exptl_crystal_density_diffrn    3.116
_cod_original_formula_sum        'Na Fe3 P2 O14 H8'
_cod_database_code               9009825
The crystal structure of hiortdahlite II Note: this is a polytype of Hiortdahlite I
Merlino, S.; Perchiazzi, N.; Mineralogy and Petrology 37 (1987) 25–35; doi:10.1007/BF01163156

data_9009826
_publ_section_title
;
 The crystal structure of hiortdahlite II
 Note: this is a polytype of Hiortdahlite I
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              25
_journal_page_last               35
_journal_paper_doi               10.1007/BF01163156
_journal_volume                  37
_journal_year                    1987
_chemical_compound_source        'Kipawa River, Canada'
_chemical_formula_sum            'Ca4.74 F2.5 Na1.38 O15.5 Si4 Y0.88 Zr'
_chemical_name_mineral           'Hiortdahlite I'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.92
_cell_angle_beta                 109.21
_cell_angle_gamma                90.06
_cell_formula_units_Z            2
_cell_length_a                   11.012
_cell_length_b                   10.342
_cell_length_c                   7.359
_cell_volume                     791.421
_database_code_amcsd             0014615
_exptl_crystal_density_diffrn    3.353
_cod_original_formula_sum        'Na1.38 Ca4.74 Zr Y.88 Si4 O15.5 F2.5'
_cod_database_code               9009826
Refinement of the structure of papagoite, CaCuAlSi2O6(OH)3 Note: U(1,1)(O3) changed from .0068 to match reported Uiso
Groat, L. A.; Hawthorne, F. C.; Mineralogy and Petrology 37 (1987) 89–96; doi:10.1007/BF01164184

data_9009827
_publ_section_title
;
 Refinement of the structure of papagoite, CaCuAlSi2O6(OH)3
 Note: U(1,1)(O3) changed from .0068 to match reported Uiso
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              89
_journal_page_last               96
_journal_paper_doi               10.1007/BF01164184
_journal_volume                  37
_journal_year                    1987
_chemical_compound_source        'Ajo, Pima County, Arizona, USA'
_chemical_formula_sum            'Al Ca Cu O9 Si2'
_chemical_name_mineral           Papagoite
_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                 100.81
_cell_angle_gamma                90
_cell_length_a                   12.926
_cell_length_b                   11.496
_cell_length_c                   4.696
_cell_formula_units_Z            4
_cell_volume                     685.430
_database_code_amcsd             0014616
_exptl_crystal_density_diffrn    3.205
_cod_original_formula_sum        'Ca Cu Al Si2 O9'
_cod_database_code               9009827
Sigloite: The oxidation mechanism in [M2(PO4)2(OH)2(H21O)2] structures
Hawthorne, F. C.; Mineralogy and Petrology 38 (1988) 201–211; doi:10.1007/BF01164702

data_9009828
_publ_section_title
;
 Sigloite: The oxidation mechanism in [M2(PO4)2(OH)2(H21O)2] structures
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              201
_journal_page_last               211
_journal_paper_doi               10.1007/BF01164702
_journal_volume                  38
_journal_year                    1988
_chemical_compound_source        'Siglo XX Mine, Llallagau, Bolivia'
_chemical_formula_sum            'Al Fe0.5 H13.5 O9 P'
_chemical_name_mineral           Sigloite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.00
_cell_angle_beta                 111.31
_cell_angle_gamma                70.87
_cell_formula_units_Z            2
_cell_length_a                   5.190
_cell_length_b                   10.419
_cell_length_c                   7.033
_cell_volume                     330.494
_database_code_amcsd             0014617
_exptl_crystal_density_diffrn    2.447
_cod_original_formula_sum        'Fe.5 Al P O9 H13.5'
_cod_database_code               9009828
The crystal structure of nabokoite, Cu7TeO4(SO4)5*KCl: The first example of a Te(IV)O4 pyramid with exactly tetragonal symmetry
Pertlik, F.; Zemann, J.; Mineralogy and Petrology 38 (1988) 291–298; doi:10.1007/BF01167095

data_9009829
_publ_section_title
;
 The crystal structure of nabokoite, Cu7TeO4(SO4)5*KCl:
 The first example of a Te(IV)O4 pyramid with exactly tetragonal symmetry
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              291
_journal_page_last               298
_journal_paper_doi               10.1007/BF01167095
_journal_volume                  38
_journal_year                    1988
_chemical_compound_source        'Mount Tolbachik, Kamchatka, USSR'
_chemical_formula_sum            'Cl Cu7 K O24 S5 Te'
_chemical_name_mineral           Nabokoite
_space_group_IT_number           130
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.833
_cell_length_b                   9.833
_cell_length_c                   20.5910
_cell_formula_units_Z            4
_cell_volume                     1990.900
_database_code_amcsd             0014618
_exptl_crystal_density_diffrn    3.974
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        'Cu7 Te S5 O24 K Cl'
_cod_database_code               9009829
Crystal structure refinements of synthetic chalcocyanite (CuSO4) and zincosite (ZnSO4)
Wildner, M.; Giester, G.; Mineralogy and Petrology 39 (1988) 201–209; doi:10.1007/BF01163035

data_9009830
_publ_section_title
;
 Crystal structure refinements of synthetic
 chalcocyanite (CuSO4) and zincosite (ZnSO4)
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              201
_journal_page_last               209
_journal_paper_doi               10.1007/BF01163035
_journal_volume                  39
_journal_year                    1988
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu O4 S'
_chemical_name_mineral           Chalcocyanite
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.409
_cell_length_b                   6.709
_cell_length_c                   4.833
_cell_volume                     272.658
_database_code_amcsd             0014619
_exptl_crystal_density_diffrn    3.888
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z data item and updating the space group
 information.

 Antanas Vaitkus,
 2018-01-15
;
_cod_original_formula_sum        'Cu S O4'
_cod_database_code               9009830
Crystal structure refinements of synthetic chalcocyanite (CuSO4) and zincosite (ZnSO4)
Wildner, M.; Giester, G.; Mineralogy and Petrology 39 (1988) 201–209; doi:10.1007/BF01163035

data_9009831
_publ_section_title
;
 Crystal structure refinements of synthetic
 chalcocyanite (CuSO4) and zincosite (ZnSO4)
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              201
_journal_page_last               209
_journal_paper_doi               10.1007/BF01163035
_journal_volume                  39
_journal_year                    1988
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O4 S Zn'
_chemical_name_mineral           Zinkosite
_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.604
_cell_length_b                   6.746
_cell_length_c                   4.774
_cell_volume                     277.095
_database_code_amcsd             0014620
_exptl_crystal_density_diffrn    3.870
_cod_depositor_comments
;
 Adding the _cell_formula_units_Z data item and updating the space group
 information.

 Antanas Vaitkus,
 2018-01-15
;
_cod_original_formula_sum        'Zn S O4'
_cod_database_code               9009831
The crystal structure of natural and synthetic holtedahlite
Romming, C.; Raade, G.; Mineralogy and Petrology 40 (1989) 91–100; doi:10.1007/BF01164319

data_9009832
_publ_section_title
;
 The crystal structure of natural and synthetic holtedahlite
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              91
_journal_page_last               100
_journal_paper_doi               10.1007/BF01164319
_journal_volume                  40
_journal_year                    1989
_chemical_compound_source
'Tingelstadtjern serpentine-magnesium deposit, Modum, Norway'
_chemical_formula_sum            'C0.24 H6.76 Mg12 O29.76 P5.76'
_chemical_name_mineral           Holtedahlite
_space_group_IT_number           157
_symmetry_space_group_name_Hall  'P 3 -2'
_symmetry_space_group_name_H-M   'P 3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   11.203
_cell_length_b                   11.203
_cell_length_c                   4.977
_cell_volume                     540.962
_database_code_amcsd             0014621
_exptl_crystal_density_diffrn    2.934
_cod_original_formula_sum        'Mg12 P5.76 C.24 O29.76 H6.76'
_cod_database_code               9009832
The crystal structure of natural and synthetic holtedahlite
Romming, C.; Raade, G.; Mineralogy and Petrology 40 (1989) 91–100; doi:10.1007/BF01164319

data_9009833
_publ_section_title
;
 The crystal structure of natural and synthetic holtedahlite
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              91
_journal_page_last               100
_journal_paper_doi               10.1007/BF01164319
_journal_volume                  40
_journal_year                    1989
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H7 Mg12 O30 P6'
_chemical_name_mineral           Holtedahlite
_space_group_IT_number           157
_symmetry_space_group_name_Hall  'P 3 -2'
_symmetry_space_group_name_H-M   'P 3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   11.186
_cell_length_b                   11.186
_cell_length_c                   4.977
_cell_volume                     539.322
_database_code_amcsd             0014622
_exptl_crystal_density_diffrn    2.970
_cod_original_formula_sum        'Mg12 P6 O30 H7'
_cod_database_code               9009833
Cornetite: modulated densely-packed Cu2+ oxysalt
Eby, R. K.; Hawthorne, F. C.; Mineralogy and Petrology 40 (1989) 127–136; doi:10.1007/BF01164323

data_9009834
_publ_section_title
;
 Cornetite: modulated densely-packed Cu2+ oxysalt
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              127
_journal_page_last               136
_journal_paper_doi               10.1007/BF01164323
_journal_volume                  40
_journal_year                    1989
_chemical_compound_source        'Mine de L'Etoile, Katanga, Zaire'
_chemical_formula_sum            'Cu3 H3 O7 P'
_chemical_name_mineral           Cornetite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.854
_cell_length_b                   14.053
_cell_length_c                   7.086
_cell_volume                     1080.837
_database_code_amcsd             0014624
_exptl_crystal_density_diffrn    4.137
_cod_original_formula_sum        'Cu3 P O7 H3'
_cod_database_code               9009834
Copper-substituted manganese-denningites, Mn(Mn1-xCux)(Te2O5)2(0<=x<=1): synthesis and crystal chemistry Sample: x = 0.0
Miletich, R.; Mineralogy and Petrology 48 (1993) 129–145; doi:10.1007/BF01163092

data_9009835
_publ_section_title
;
 Copper-substituted manganese-denningites,
 Mn(Mn1-xCux)(Te2O5)2(0<=x<=1): synthesis and crystal chemistry
 Sample: x = 0.0
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              129
_journal_page_last               145
_journal_paper_doi               10.1007/BF01163092
_journal_volume                  48
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mn O5 Te2'
_chemical_name_mineral           Denningite
_space_group_IT_number           133
_symmetry_space_group_name_Hall  '-P 4ac 2b'
_symmetry_space_group_name_H-M   'P 42/n b c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.761
_cell_length_b                   8.761
_cell_length_c                   12.990
_cell_formula_units_Z            8
_cell_volume                     997.049
_database_code_amcsd             0014626
_exptl_crystal_density_diffrn    5.198
_cod_original_sg_symbol_H-M      'P 42/n b c'
_cod_original_formula_sum        'Mn Te2 O5'
_cod_database_code               9009835
Copper-substituted manganese-denningites, Mn(Mn1-xCux)(Te2O5)2(0<=x<=1): synthesis and crystal chemistry Sample: x = 0.33
Miletich, R.; Mineralogy and Petrology 48 (1993) 129–145; doi:10.1007/BF01163092

data_9009836
_publ_section_title
;
 Copper-substituted manganese-denningites,
 Mn(Mn1-xCux)(Te2O5)2(0<=x<=1): synthesis and crystal chemistry
 Sample: x = 0.33
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              129
_journal_page_last               145
_journal_paper_doi               10.1007/BF01163092
_journal_volume                  48
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu0.33 Mn1.67 O10 Te4'
_chemical_name_mineral           Denningite
_space_group_IT_number           133
_symmetry_space_group_name_Hall  '-P 4ac 2b'
_symmetry_space_group_name_H-M   'P 42/n b c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.747
_cell_length_b                   8.747
_cell_length_c                   12.902
_cell_formula_units_Z            4
_cell_volume                     987.132
_database_code_amcsd             0014627
_exptl_crystal_density_diffrn    5.269
_cod_original_sg_symbol_H-M      'P 42/n b c'
_cod_original_formula_sum        'Mn1.67 Cu.33 Te4 O10'
_cod_database_code               9009836
Copper-substituted manganese-denningites, Mn(Mn1-xCux)(Te2O5)2(0<=x<=1): synthesis and crystal chemistry Sample: x = 0.48
Miletich, R.; Mineralogy and Petrology 48 (1993) 129–145; doi:10.1007/BF01163092

data_9009837
_publ_section_title
;
 Copper-substituted manganese-denningites,
 Mn(Mn1-xCux)(Te2O5)2(0<=x<=1): synthesis and crystal chemistry
 Sample: x = 0.48
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              129
_journal_page_last               145
_journal_paper_doi               10.1007/BF01163092
_journal_volume                  48
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu0.48 Mn1.52 O10 Te4'
_chemical_name_mineral           Denningite
_space_group_IT_number           133
_symmetry_space_group_name_Hall  '-P 4ac 2b'
_symmetry_space_group_name_H-M   'P 42/n b c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.741
_cell_length_b                   8.741
_cell_length_c                   12.8684
_cell_formula_units_Z            4
_cell_volume                     983.211
_database_code_amcsd             0014628
_exptl_crystal_density_diffrn    5.299
_cod_original_sg_symbol_H-M      'P 42/n b c'
_cod_original_formula_sum        'Mn1.52 Cu.48 Te4 O10'
_cod_database_code               9009837
Copper-substituted manganese-denningites, Mn(Mn1-xCux)(Te2O5)2(0<=x<=1): synthesis and crystal chemistry Sample: x = 0.80
Miletich, R.; Mineralogy and Petrology 48 (1993) 129–145; doi:10.1007/BF01163092

data_9009838
_publ_section_title
;
 Copper-substituted manganese-denningites,
 Mn(Mn1-xCux)(Te2O5)2(0<=x<=1): synthesis and crystal chemistry
 Sample: x = 0.80
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              129
_journal_page_last               145
_journal_paper_doi               10.1007/BF01163092
_journal_volume                  48
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu0.8 Mn1.2 O10 Te4'
_chemical_name_mineral           Denningite
_space_group_IT_number           133
_symmetry_space_group_name_Hall  '-P 4ac 2b'
_symmetry_space_group_name_H-M   'P 42/n b c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.729
_cell_length_b                   8.729
_cell_length_c                   12.820
_cell_formula_units_Z            4
_cell_volume                     976.826
_database_code_amcsd             0014629
_exptl_crystal_density_diffrn    5.352
_cod_original_sg_symbol_H-M      'P 42/n b c'
_cod_original_formula_sum        'Mn1.2 Cu.8 Te4 O10'
_cod_database_code               9009838