LMucko/crystallography-open-database huggingface dataset:
The crystal chemistry of staurolite. I. Crystal structure and site populations Sample Code: MUS-AR/3
Hawthorne, F. C.; Ungaretti, L.; Oberti, R.; Caucia, F.; Callegari, A.; The Canadian Mineralogist 31 (1993) 551–582; doi:

data_9017151
_publ_section_title
;
 The crystal chemistry of staurolite. I. Crystal structure and site populations
 Sample Code: MUS-AR/3
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              551
_journal_page_last               582
_journal_volume                  31
_journal_year                    1993
_chemical_compound_source        'Pizzo Forno, Switzerland'
_chemical_formula_sum
'Al4.487 Fe0.812 H0.75 Li0.02 Mg0.25 O12 Si1.88 Zn0.015'
_chemical_name_mineral           Staurolite
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.057
_cell_angle_gamma                90
_cell_length_a                   7.8660
_cell_length_b                   16.61378
_cell_length_c                   5.6552
_cell_formula_units_Z            4
_cell_volume                     739.044
_database_code_amcsd             0005318
_exptl_crystal_density_diffrn    3.768
_cod_data_source_file            inputs/fixed/downloads/06/06116.cif
_cod_data_source_block           06116
_cod_original_formula_sum
'O12 Si1.88 Al4.487 Fe.812 Mg.25 Li.02 Zn.015 H.75'
_cod_database_code               9017151
_cod_duplicate_entry 9013756
The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet structure Sample: UBC refinement
Lam, A. E.; Groat, L. A.; The Canadian Mineralogist 32 (1994) 525–532; doi:

data_9017152
_publ_section_title
;
 The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet
 structure
 Sample: UBC refinement
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              525
_journal_page_last               532
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Al1.97 Ca Fe0.03 H6 O30 Pb3 Si10'
_chemical_name_mineral           Wickenburgite
_space_group_IT_number           159
_space_group_name_Hall           'P 3 -2c'
_space_group_name_H-M_alt        'P 3 1 c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   8.560
_cell_length_b                   8.560
_cell_length_c                   20.190
_cell_volume                     1281.193
_database_code_amcsd             0005381
_exptl_crystal_density_diffrn    3.845
_cod_data_source_file            inputs/fixed/downloads/06/06179.cif
_cod_data_source_block           06179
_cod_original_formula_sum        'Pb3 Ca Al1.97 Fe.03 Si10 O30 H6'
_cod_database_code               9017152
The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet structure Sample: UMAN refinement
Lam, A. E.; Groat, L. A.; The Canadian Mineralogist 32 (1994) 525–532; doi:

data_9017153
_publ_section_title
;
 The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet
 structure
 Sample: UMAN refinement
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              525
_journal_page_last               532
_journal_volume                  32
_journal_year                    1994
_chemical_formula_sum            'Al1.81 Ca Fe0.19 H6 O30 Pb3 Si10'
_chemical_name_mineral           Wickenburgite
_space_group_IT_number           159
_space_group_name_Hall           'P 3 -2c'
_space_group_name_H-M_alt        'P 3 1 c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   8.546
_cell_length_b                   8.546
_cell_length_c                   20.168
_cell_volume                     1275.614
_database_code_amcsd             0005382
_exptl_crystal_density_diffrn    3.874
_cod_data_source_file            inputs/fixed/downloads/06/06180.cif
_cod_data_source_block           06180
_cod_original_formula_sum        'Pb3 Ca Al1.81 Fe.19 Si10 O30 H6'
_cod_database_code               9017153
Claringbullite: A Cu oxysalt with Cu in trigonal-prismatic coordination
Burns, P. C.; Cooper, M. A.; Hawthorne, F. C.; The Canadian Mineralogist 33 (1995) 633–639; doi:

data_9017154
_publ_section_title
;
 Claringbullite: A Cu oxysalt with Cu in trigonal-prismatic coordination
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              633
_journal_page_last               639
_journal_volume                  33
_journal_year                    1995
_chemical_formula_sum            'Cl1.29 Cu3.99 H6.71 O6.71'
_chemical_name_mineral           Claringbullite
_space_group_IT_number           194
_space_group_name_Hall           '-P 6c 2c'
_space_group_name_H-M_alt        'P 63/m m c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   6.6733
_cell_length_b                   6.6733
_cell_length_c                   9.185
_cell_volume                     354.235
_database_code_amcsd             0005432
_exptl_crystal_density_diffrn    3.876
_cod_data_source_file            inputs/fixed/downloads/06/06230.cif
_cod_data_source_block           06230
_cod_original_formula_sum        'Cu3.99 H6.71 Cl1.29 O6.71'
_cod_database_code               9017154
Montetrisaite, a new hydroxy-hydrated copper sulfate species from Monte Trisa, Vicenza, Italy
Orlandi, P.; Bonaccorsi, E.; The Canadian Mineralogist 47 (2009) 143–151; doi:

data_9017155
_publ_section_title
;
 Montetrisaite, a new hydroxy-hydrated copper sulfate species
 from Monte Trisa, Vicenza, Italy
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              143
_journal_page_last               151
_journal_volume                  47
_journal_year                    2009
_chemical_compound_source        'Monte Trisa, Vicenza, Italy'
_chemical_formula_sum            'Cu3 H7 O8 S0.5'
_chemical_name_mineral           Montetrisaite
_space_group_IT_number           36
_space_group_name_Hall           'C 2c -2'
_space_group_name_H-M_alt        'C m c 21'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   2.989
_cell_length_b                   16.970
_cell_length_c                   14.812
_cell_volume                     751.314
_database_code_amcsd             0006275
_exptl_crystal_density_diffrn    3.021
_cod_data_source_file            inputs/fixed/downloads/07/07084.cif
_cod_data_source_block           07084
_cod_original_formula_sum        'Cu3 S.5 O8 H7'
_cod_database_code               9017155
Sodian muscovite-2M1: crystal chemistry and surface features
Elmi, C.; Brigatti, M. F.; Guggenheim, S.; Pasquali, L.; Montecchi, M.; Malferrari, D.; Nannarone, S.; The Canadian Mineralogist 51 (2013) 5–14; doi:

data_9017156
_publ_section_title
;
 Sodian muscovite-2M1: crystal chemistry and surface features
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              5
_journal_page_last               14
_journal_volume                  51
_journal_year                    2013
_chemical_compound_source
'pegmatite in Northern Victoria Land, Antarctica'
_chemical_formula_sum
'Al2.842 F0.054 Fe0.07 H1.946 K0.865 Mg0.036 Na0.135 O11.946 Si3.044 Ti0.006'
_chemical_name_mineral           Muscovite
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.763
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.1969
_cell_length_b                   9.0138
_cell_length_c                   20.0835
_cell_volume                     936.033
_database_code_amcsd             0019832
_exptl_crystal_density_diffrn    2.826
_cod_data_source_file            inputs/fixed/downloads/07/07368.cif
_cod_data_source_block           07368
_cod_original_formula_sum
'(K.865 Na.135) Al2.842 Fe.07 Mg.036 Ti.006 Si3.044 O11.946 (F.054 H1.946)'
_cod_database_code               9017156
Nashite, Na3Ca2[(V4+V5+9)O28]*24H2O, a new mineral species from the Yellow Cat Mining District, Utah and the Slick Rock Mining District, Colorado: crystal structure and descriptive mineralogy
Kampf, A. R.; Hughes, J. M.; Marty, J.; Brown, F. H.; The Canadian Mineralogist 51 (2013) 27–37; doi:

data_9017157
_publ_section_title
;
 Nashite, Na3Ca2[(V4+V5+9)O28]*24H2O, a new mineral species from the
 Yellow Cat Mining District, Utah and the Slick Rock Mining District,
 Colorado: crystal structure and descriptive mineralogy
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              27
_journal_page_last               37
_journal_volume                  51
_journal_year                    2013
_chemical_compound_source        'Little Eva mine, Grand County, Utah, USA'
_chemical_formula_sum            'Ca H24 Na1.496 O26 V5'
_chemical_name_mineral           Nashite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.584
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.0099
_cell_length_b                   21.8472
_cell_length_c                   11.1504
_cell_volume                     2180.666
_database_code_amcsd             0019804
_exptl_crystal_density_diffrn    2.343
_cod_data_source_file            inputs/fixed/downloads/07/07369.cif
_cod_data_source_block           07369
_cod_original_formula_sum        'V5 Ca Na1.496 O26 H24'
_cod_database_code               9017157
Adranosite-(Fe), (NH4)4NaFe2(SO4)4Cl(OH)2, a new ammonium sulfate chloride from La Fossa Crater, Vulcano, Aeolian Islands, Italy
Mitolo, D.; Demartin, F.; Garavelli, A.; Campostrini, I.; Pinto, D.; Gramaccioli, C. M.; Acquafredda, P.; Kolitsch, U.; The Canadian Mineralogist 51 (2013) 57–66; doi:

data_9017158
_publ_section_title
;
 Adranosite-(Fe), (NH4)4NaFe2(SO4)4Cl(OH)2, a new ammonium sulfate chloride
 from La Fossa Crater, Vulcano, Aeolian Islands, Italy
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              57
_journal_page_last               66
_journal_volume                  51
_journal_year                    2013
_chemical_compound_source
'La Fossa Crater, Vulcano, Aeolian Islands, Italy'
_chemical_formula_sum
'Al0.18 Cl Fe1.82 H17.568 K0.108 N3.892 Na O18 S4'
_chemical_name_mineral           Adranosite-(Fe)
_space_group_IT_number           142
_space_group_name_Hall           '-I 4bd 2c'
_space_group_name_H-M_alt        'I 41/a c d :2'
_symmetry_space_group_name_H-M   'I 41/a c d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.261
_cell_length_b                   18.261
_cell_length_c                   11.562
_cell_formula_units_Z            8
_cell_volume                     3855.512
_database_code_amcsd             0019805
_exptl_crystal_density_diffrn    2.266
_cod_data_source_file            inputs/fixed/downloads/07/07370.cif
_cod_data_source_block           07370
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_original_formula_sum
'Na (Fe1.82 Al.18) S4 Cl (N3.892 K.108) O18 H17.568'
_cod_database_code               9017158
From structure topology to chemical composition. XV. Titanium silicates: revision of the crystal structure and chemical formula of schullerite, Na2Ba2Mg2Ti2(Si2O7)2O2F2, from the Eifel volcanic region, Germany
Sokolova, E.; Hawthorne, F. C.; Abdu, Y. A.; The Canadian Mineralogist 51 (2013) 715–772; doi:

data_9017159
_publ_section_title
;
 From structure topology to chemical composition. XV. Titanium silicates:
 revision of the crystal structure and chemical formula of schullerite,
 Na2Ba2Mg2Ti2(Si2O7)2O2F2, from the Eifel volcanic region, Germany
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              715
_journal_page_last               772
_journal_volume                  51
_journal_year                    2013
_chemical_compound_source        'Eifel volcanic region, Germany'
_chemical_formula_sum
'Al0.005 Ba0.785 Ca0.215 F Fe0.63 K0.07 Mg0.395 Mn0.15 Na0.715 Nb0.045 O8 Si2 Sr0.07 Ti0.835 Zr0.01'
_chemical_name_mineral           Schullerite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                99.73
_cell_angle_beta                 99.55
_cell_angle_gamma                90.09
_cell_formula_units_Z            2
_cell_length_a                   5.396
_cell_length_b                   7.071
_cell_length_c                   10.226
_cell_volume                     379.056
_database_code_amcsd             0020054
_exptl_crystal_density_diffrn    3.882
_cod_data_source_file            inputs/fixed/downloads/07/07371.cif
_cod_data_source_block           07371
_cod_original_formula_sum
'Ti.835 Fe.63 Nb.045 Zr.01 Al.005 Si2 Ba.785 Sr.07 K.07 Mg.395 Na.715 Ca.215 Mn.15 O8 F'
_cod_database_code               9017159
Wopmayite, ideally Ca6Na3[]Mn(PO4)3(PO3OH)4, a new phosphate mineral from the Tanco Mine, Bernic Lake, Manitoba: description and crystal structure
Cooper, M. A.; Hawthorne, F. C.; Abdu, Y. A.; Ball, N. A.; Ramik, R. A.; Tait, K. T.; The Canadian Mineralogist 51 (2013) 93–106; doi:

data_9017160
_publ_section_title
;
 Wopmayite, ideally Ca6Na3[]Mn(PO4)3(PO3OH)4, a new phosphate mineral from
 the Tanco Mine, Bernic Lake, Manitoba: description and crystal structure
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              93
_journal_page_last               106
_journal_volume                  51
_journal_year                    2013
_chemical_compound_source        'the Tanco Mine, Bernic Lake, Manitoba, Canada'
_chemical_formula_sum
'Al0.08 Ca7.53 Fe0.25 H1.45 Mg0.11 Mn0.56 Na1.67 O28 P7'
_chemical_name_mineral           Wopmayite
_space_group_IT_number           161
_space_group_name_Hall           'R 3 -2"c'
_space_group_name_H-M_alt        'R 3 c :H'
_symmetry_space_group_name_H-M   'R 3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   10.3926
_cell_length_b                   10.3926
_cell_length_c                   37.1694
_cell_volume                     3476.679
_database_code_amcsd             0019803
_exptl_crystal_density_diffrn    3.026
_cod_data_source_file            inputs/fixed/downloads/07/07372.cif
_cod_data_source_block           07372
_cod_original_sg_symbol_H-M      'R 3 c'
_cod_original_formula_sum
'Mn.56 Fe.25 Mg.11 Al.08 Ca7.53 Na1.67 P7 O28 H1.45'
_cod_database_code               9017160
Wilcoxite MgAl(SO4)2F*17H2O, from Rico, Colorado: occurrence and crystal structure
Peterson, R. C.; Joy, B. R.; The Canadian Mineralogist 51 (2013) 107–117; doi:

data_9017161
_publ_section_title
;
 Wilcoxite MgAl(SO4)2F*17H2O, from Rico, Colorado: occurrence and crystal structure
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              107
_journal_page_last               117
_journal_volume                  51
_journal_year                    2013
_chemical_compound_source        'Rico, Colorado, USA'
_chemical_formula_sum
'Al F1.02 Fe0.04 H33.96 Mg0.81 Mn0.07 O24.98 S2 Zn0.04'
_chemical_name_mineral           Wilcoxite
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                79.664
_cell_angle_beta                 80.113
_cell_angle_gamma                63.487
_cell_formula_units_Z            1
_cell_length_a                   6.644
_cell_length_b                   6.749
_cell_length_c                   14.892
_cell_volume                     584.648
_database_code_amcsd             0019831
_exptl_crystal_density_diffrn    1.627
_cod_data_source_file            inputs/fixed/downloads/07/07373.cif
_cod_data_source_block           07373
_cod_original_formula_sum
'Mg.81 Mn.07 Fe.04 Zn.04 Al S2 O24.98 F1.02 H33.96'
_cod_database_code               9017161
Volkovskite, a complex borate mineral: refined crystallographic data and optics
Poulin, R. S.; Grice, J. D.; The Canadian Mineralogist 51 (2013) 157–169; doi:

data_9017162
_publ_section_title
;
 Volkovskite, a complex borate mineral: refined crystallographic data and optics
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              157
_journal_page_last               169
_journal_volume                  51
_journal_year                    2013
_chemical_compound_source        'New Brunswick, Canada'
_chemical_formula_sum            'B22 Ca4 Cl H18 K O46'
_chemical_name_mineral           Volkovskite
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                92.626
_cell_angle_beta                 119.132
_cell_angle_gamma                97.298
_cell_length_a                   6.535
_cell_length_b                   24.185
_cell_length_c                   6.589
_cell_formula_units_Z            1
_cell_volume                     895.288
_database_code_amcsd             0020421
_exptl_crystal_density_diffrn    2.275
_cod_data_source_file            inputs/fixed/downloads/07/07374.cif
_cod_data_source_block           07374
_cod_original_formula_sum        'K Ca4 B22 Cl O46 H18'
_cod_database_code               9017162
Crystal structure and magnetic property of synthetic gengenbachite, KH8(Fe2.66Al0.34)(PO4)6*6H2O
Hu, Z. B.; Wang, C. X.; Tong, C. Q.; Huang, Y. X.; Pan, Y.; Mi, J. X.; The Canadian Mineralogist 51 (2013) 223–232; doi:

data_9017163
_publ_section_title
;
 Crystal structure and magnetic property of synthetic gengenbachite,
 KH8(Fe2.66Al0.34)(PO4)6*6H2O
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              223
_journal_page_last               232
_journal_volume                  51
_journal_year                    2013
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al0.338 Fe2.662 H20.001 K O30 P6'
_chemical_name_mineral           Gengenbachite
_space_group_IT_number           159
_space_group_name_Hall           'P 3 -2c'
_space_group_name_H-M_alt        'P 3 1 c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.044
_cell_length_b                   9.044
_cell_length_c                   16.706
_cell_volume                     1183.380
_database_code_amcsd             0020142
_exptl_crystal_density_diffrn    2.478
_cod_data_source_file            inputs/fixed/downloads/07/07375.cif
_cod_data_source_block           07375
_cod_original_formula_sum        'K (Fe2.662 Al.338) P6 O30 H20.001'
_cod_database_code               9017163
Hydrogen bonding in the crystal structure of legrandite: Zn2(AsO4)(OH)(H2O)
Hawthorne, F. C.; Abdu, Y. A.; Tait, K. T.; The Canadian Mineralogist 51 (2013) 233–241; doi:

data_9017164
_publ_section_title
;
 Hydrogen bonding in the crystal structure of legrandite: Zn2(AsO4)(OH)(H2O)
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              233
_journal_page_last               241
_journal_volume                  51
_journal_year                    2013
_chemical_compound_source        'Tsumeb mine, Namibia'
_chemical_formula_sum            'As H3 O6 Zn2'
_chemical_name_mineral           Legrandite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.4329
_cell_angle_gamma                90
_cell_length_a                   12.8052
_cell_length_b                   7.9249
_cell_length_c                   10.2173
_cell_formula_units_Z            8
_cell_volume                     1004.128
_database_code_amcsd             0020158
_exptl_crystal_density_diffrn    4.031
_cod_data_source_file            inputs/fixed/downloads/07/07376.cif
_cod_data_source_block           07376
_cod_original_formula_sum        'Zn2 As O6 H3'
_cod_database_code               9017164
The crystal structure of yofortierite
Hawthorne, F. C.; Abdu, Y. A.; Tait, K. T.; Back, M. E.; The Canadian Mineralogist 51 (2013) 243–251; doi:

data_9017165
_publ_section_title
;
 The crystal structure of yofortierite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              243
_journal_page_last               251
_journal_volume                  51
_journal_year                    2013
_chemical_compound_source
'Poudrette Quarry, Mont St. Hilaire, Quebec, Canada'
_chemical_formula_sum
'Al0.01 Ca0.18 Fe0.22 H17.22 Mg1.02 Mn3.1 O29.28 Si8 Ti0.02 Zn0.11'
_chemical_name_mineral           Yofortierite
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.878
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.1686
_cell_length_b                   17.8583
_cell_length_c                   5.2919
_cell_volume                     1287.907
_database_code_amcsd             0019873
_exptl_crystal_density_diffrn    2.407
_cod_data_source_file            inputs/fixed/downloads/07/07377.cif
_cod_data_source_block           07377
_cod_original_formula_sum
'Si8 Mn3.1 Mg1.02 Al.01 Ti.02 Fe.22 Zn.11 Ca.18 O29.28 H17.22'
_cod_database_code               9017165