LMucko/crystallography-open-database huggingface dataset:
Crystal structure and cation distribution in freibergite and tetrahedrite
Peterson, R. C.; Miller, I.; Mineralogical Magazine 50 (1986) 717–721; doi:10.1180/minmag.1986.050.358.19

data_9009468
_publ_section_title
;
 Crystal structure and cation distribution in freibergite and tetrahedrite
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              717
_journal_page_last               721
_journal_paper_doi               10.1180/minmag.1986.050.358.19
_journal_volume                  50
_journal_year                    1986
_chemical_compound_source        'Keno Hill, Yukon, Canada'
_chemical_formula_sum
'Ag4.2 As0.12 Cu5.82 Fe1.56 S13 Sb3.88 Zn0.42'
_chemical_name_mineral           Freibergite
_space_group_IT_number           217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.610
_cell_length_b                   10.610
_cell_length_c                   10.610
_cell_formula_units_Z            2
_cell_volume                     1194.390
_database_code_amcsd             0014484
_exptl_crystal_density_diffrn    5.104
_cod_original_formula_sum
'Cu5.82 Zn.42 Ag4.2 Fe1.56 (Sb3.88 As.12) S13'
_cod_database_code               9009468
Crystal structure and cation distribution in freibergite and tetrahedrite
Peterson, R. C.; Miller, I.; Mineralogical Magazine 50 (1986) 717–721; doi:10.1180/minmag.1986.050.358.19

data_9009469
_publ_section_title
;
 Crystal structure and cation distribution in freibergite and tetrahedrite
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              717
_journal_page_last               721
_journal_paper_doi               10.1180/minmag.1986.050.358.19
_journal_volume                  50
_journal_year                    1986
_chemical_compound_source
'Turquetil Lake, Northwest Territories, Canada'
_chemical_formula_sum            'As0.28 Cu10.08 Fe0.96 S13 Sb3.72 Zn0.96'
_chemical_name_mineral           Tetrahedrite
_space_group_IT_number           217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.364
_cell_length_b                   10.364
_cell_length_c                   10.364
_cell_formula_units_Z            2
_cell_volume                     1113.223
_database_code_amcsd             0014485
_exptl_crystal_density_diffrn    4.916
_cod_original_formula_sum        '(Cu10.08 Fe.96 Zn.96) (Sb3.72 As.28) S13'
_cod_database_code               9009469
The structure of reyerite, (Na,K)2Ca14Si22Al2O58(OH)8*6H2O Note: anisoU's from ICSD
Merlino, S.; Mineralogical Magazine 52 (1988) 247–256; doi:10.1180/minmag.1988.052.365.12

data_9009470
_publ_section_title
;
 The structure of reyerite, (Na,K)2Ca14Si22Al2O58(OH)8*6H2O
 Note: anisoU's from ICSD
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              247
_journal_page_last               256
_journal_paper_doi               10.1180/minmag.1988.052.365.12
_journal_volume                  52
_journal_year                    1988
_chemical_compound_source        'Niakornak, Greenland'
_chemical_formula_sum            'Al Ca7 H22 Na0.8 O36 Si11'
_chemical_name_mineral           Reyerite
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.765
_cell_length_b                   9.765
_cell_length_c                   19.0670
_cell_volume                     1574.554
_database_code_amcsd             0014486
_exptl_crystal_density_diffrn    2.601
_cod_original_formula_sum        'Na.8 Ca7 Si11 Al O36 H22'
_cod_database_code               9009470
The crystal structure of non-stoichiometric Eu-anorthite: an explanation of the Eu-positive anomaly
Kimata, M.; Mineralogical Magazine 52 (1988) 257–265; doi:10.1180/minmag.1988.052.365.13

data_9009471
_publ_section_title
;
 The crystal structure of non-stoichiometric Eu-anorthite:
 an explanation of the Eu-positive anomaly
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              257
_journal_page_last               265
_journal_paper_doi               10.1180/minmag.1988.052.365.13
_journal_volume                  52
_journal_year                    1988
_chemical_formula_structural     Eu.92Al1.76Si2.24O8
_chemical_formula_sum            'Al1.76 Eu0.92 O8 Si2.24'
_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                 115.51
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.373
_cell_length_b                   12.959
_cell_length_c                   7.124
_cell_volume                     697.636
_database_code_amcsd             0014487
_exptl_crystal_density_diffrn    3.601
_cod_original_cell_volume        697.635
_cod_original_formula_sum        'Eu.92 (Al1.76 Si2.24) O8'
_cod_database_code               9009471
_amcsd_formula_title             Eu.92Al1.76Si2.24O8
Gyrolite: its crystal structure and crystal chemistry Note: x-coordinate of O102 adjusted to match reported bond lengths Note: occupancies invented to match formula
Merlino, S.; Mineralogical Magazine 52 (1988) 377–387; doi:10.1180/minmag.1988.052.366.09

data_9009472
_publ_section_title
;
 Gyrolite: its crystal structure and crystal chemistry
 Note: x-coordinate of O102 adjusted to match reported bond lengths
 Note: occupancies invented to match formula
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              377
_journal_page_last               387
_journal_paper_doi               10.1180/minmag.1988.052.366.09
_journal_volume                  52
_journal_year                    1988
_chemical_compound_source        'Qarusait, Greenland'
_chemical_formula_sum            'Al Ca16 H28 Na O82 Si23'
_chemical_name_mineral           Gyrolite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                95.7
_cell_angle_beta                 91.5
_cell_angle_gamma                120.0
_cell_formula_units_Z            1
_cell_length_a                   9.74
_cell_length_b                   9.74
_cell_length_c                   22.40
_cell_volume                     1824.129
_database_code_amcsd             0014488
_exptl_crystal_density_diffrn    2.437
_cod_original_formula_sum        'Na Ca16 Si23 Al O82 H28'
_cod_database_code               9009472
Holtite, (Si2.25Sb0.75)B[Al6(Al0.43 Ta0.27[]0.30)O15(O,OH)2.25]: crystal structure and crystal chemistry
Hoskins, B. F.; Mumme, W. G.; Pryce, M. W.; Mineralogical Magazine 53 (1989) 457–463; doi:10.1180/minmag.1989.053.372.05

data_9009473
_publ_section_title
;
 Holtite, (Si2.25Sb0.75)B[Al6(Al0.43 Ta0.27[]0.30)O15(O,OH)2.25]:
 crystal structure and crystal chemistry
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              457
_journal_page_last               463
_journal_paper_doi               10.1180/minmag.1989.053.372.05
_journal_volume                  53
_journal_year                    1989
_chemical_compound_source        'Greenbrushes, Australia'
_chemical_formula_sum            'Al6.43 B O17.25 Sb0.75 Si2.25 Ta0.27'
_chemical_name_mineral           Holtite
_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                   4.6914
_cell_length_b                   11.896
_cell_length_c                   20.383
_cell_formula_units_Z            4
_cell_volume                     1137.553
_database_code_amcsd             0014489
_exptl_crystal_density_diffrn    3.875
_cod_original_formula_sum        'Al6.43 Ta.27 Si2.25 Sb.75 B O17.25'
_cod_database_code               9009473
Bernardite, a new thallium arsenic sulphosalt from Allchar, Macedonia, with a determination of the crystal structure
Pasava, J.; Pertlik, F.; Stumpfl, E. F.; Zemann, J.; Mineralogical Magazine 53 (1989) 531–538; doi:10.1180/minmag.1989.053.373.03

data_9009474
_publ_section_title
;
 Bernardite, a new thallium arsenic sulphosalt from Allchar,
 Macedonia, with a determination of the crystal structure
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              531
_journal_page_last               538
_journal_paper_doi               10.1180/minmag.1989.053.373.03
_journal_volume                  53
_journal_year                    1989
_chemical_compound_source        'Allchar, Macedonia'
_chemical_formula_sum            'As5 S8 Tl'
_chemical_name_mineral           Bernardite
_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                 91.27
_cell_angle_gamma                90
_cell_length_a                   15.647
_cell_length_b                   8.038
_cell_length_c                   10.750
_cell_formula_units_Z            4
_cell_volume                     1351.702
_database_code_amcsd             0014490
_exptl_crystal_density_diffrn    4.106
_cod_original_formula_sum        'Tl As5 S8'
_cod_database_code               9009474
The crystal structure of manganoan kilchoanite, Ca2.33Mn0.67Si2O7: a site preference rule for the substitution of Mn for Ca
Kimata, M.; Mineralogical Magazine 53 (1989) 625–631; doi:10.1180/minmag.1989.053.373.13

data_9009475
_publ_section_title
;
 The crystal structure of manganoan kilchoanite, Ca2.33Mn0.67Si2O7:
 a site preference rule for the substitution of Mn for Ca
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              625
_journal_page_last               631
_journal_paper_doi               10.1180/minmag.1989.053.373.13
_journal_volume                  53
_journal_year                    1989
_chemical_formula_sum            'Ca2.33 Mn0.67 O7 Si2'
_chemical_name_mineral           Kilchoanite
_space_group_IT_number           46
_symmetry_space_group_name_Hall  'I -2c 2'
_symmetry_space_group_name_H-M   'I 2 c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.356
_cell_length_b                   5.007
_cell_length_c                   21.8170
_cell_formula_units_Z            8
_cell_volume                     1240.504
_database_code_amcsd             0014491
_exptl_crystal_density_diffrn    3.195
_cod_original_formula_sum        'Ca2.33 Mn.67 Si2 O7'
_cod_database_code               9009475
The crystal structure of voggite, a new hydrated Na-Zr hydroxide-phosphate-carbonate mineral
Szymanski, J. T.; Roberts, A. C.; Mineralogical Magazine 54 (1990) 495–500; doi:10.1180/minmag.1990.054.376.14

data_9009476
_publ_section_title
;
 The crystal structure of voggite, a new hydrated
 Na-Zr hydroxide-phosphate-carbonate mineral
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              495
_journal_page_last               500
_journal_paper_doi               10.1180/minmag.1990.054.376.14
_journal_volume                  54
_journal_year                    1990
_chemical_compound_source        'Francon quarry, Montreal, Quebec, Canada'
_chemical_formula_sum            'C H5 Na2 O10 P Zr'
_chemical_name_mineral           Voggite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.19
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.261
_cell_length_b                   6.561
_cell_length_c                   11.757
_cell_volume                     848.686
_database_code_amcsd             0014492
_exptl_crystal_density_diffrn    2.702
_cod_original_formula_sum        'Na2 Zr P C O10 H5'
_cod_database_code               9009476
The crystal structure of kamchatkite, a new naturally occuring oxychloride sulphate of potassium and copper
Varaksina, T. V.; Fundamensky, V. S.; Filatov, S. K.; Vergasova, L. P.; Mineralogical Magazine 54 (1990) 613–616; doi:10.1180/minmag.1990.054.377.14

data_9009477
_publ_section_title
;
 The crystal structure of kamchatkite, a new naturally occuring
 oxychloride sulphate of potassium and copper
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              613
_journal_page_last               616
_journal_paper_doi               10.1180/minmag.1990.054.377.14
_journal_volume                  54
_journal_year                    1990
_chemical_compound_source
'Tolbachik Main Fracture eruption, Kamchatka, Russia'
_chemical_formula_sum            'Cl Cu3 K O9 S2'
_chemical_name_mineral           Kamchatkite
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.741
_cell_length_b                   12.858
_cell_length_c                   7.001
_cell_formula_units_Z            4
_cell_volume                     876.874
_database_code_amcsd             0014493
_exptl_crystal_density_diffrn    3.585
_cod_original_formula_sum        'K Cu3 S2 O9 Cl'
_cod_database_code               9009477
The crystal structure of fedotovite, K2Cu3O(SO4)3 Note: x(S3), z(S3), and z(O11) changed to match bond length table
Starova, G. L.; Filatov, S. K.; Fundamensky, V. S.; Vergasova, L. P.; Mineralogical Magazine 55 (1991) 613–616; doi:10.1180/minmag.1991.055.381.14

data_9009478
_publ_section_title
;
 The crystal structure of fedotovite, K2Cu3O(SO4)3
 Note: x(S3), z(S3), and z(O11) changed to match bond length table
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              613
_journal_page_last               616
_journal_paper_doi               10.1180/minmag.1991.055.381.14
_journal_volume                  55
_journal_year                    1991
_chemical_compound_source
'Tolbachik fissure eruption, Kamchatka Peninsula, Russia'
_chemical_formula_sum            'Cu3 K2 O13 S3'
_chemical_name_mineral           Fedotovite
_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                 111.04
_cell_angle_gamma                90
_cell_length_a                   19.0370
_cell_length_b                   9.479
_cell_length_c                   14.231
_cell_formula_units_Z            8
_cell_volume                     2396.799
_database_code_amcsd             0014494
_exptl_crystal_density_diffrn    3.176
_cod_original_formula_sum        'K2 Cu3 S3 O13'
_cod_database_code               9009478
The crystal structure of klyuchevskite, K3Cu3(Fe,Al)O2(SO4)4, a new mineral from Kamchatka volcanic sublimates
Gorskaya, M. G.; Filatov, S. K.; Rozhdestvenskaya, I. V.; Vergasova, L. P.; Mineralogical Magazine 56 (1992) 411–416; doi:10.1180/minmag.1992.056.384.14

data_9009479
_publ_section_title
;
 The crystal structure of klyuchevskite, K3Cu3(Fe,Al)O2(SO4)4,
 a new mineral from Kamchatka volcanic sublimates
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              411
_journal_page_last               416
_journal_paper_doi               10.1180/minmag.1992.056.384.14
_journal_volume                  56
_journal_year                    1992
_chemical_compound_source
'Tolbachik Main Fracture Eruption, Kamchatka Peninsula, Russia'
_chemical_formula_sum            'Al0.18 Cu3 Fe0.82 K3 O18 S4'
_chemical_name_mineral           Klyuchevskite
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'I 2y'
_symmetry_space_group_name_H-M   'I 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.5
_cell_angle_gamma                90
_cell_length_a                   18.6670
_cell_length_b                   4.94
_cell_length_c                   18.405
_cell_formula_units_Z            4
_cell_volume                     1663.145
_database_code_amcsd             0014497
_exptl_crystal_density_diffrn    3.094
_cod_original_formula_sum        'K3 Cu3 (Fe.82 Al.18) S4 O18'
_cod_database_code               9009479
Crystal structure of KBSi3O8 isostructural with danburite
Kimata, M.; Mineralogical Magazine 57 (1993) 157–164; doi:10.1180/minmag.1993.057.386.15

data_9009480
_publ_section_title
;
 Crystal structure of KBSi3O8 isostructural with danburite
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              157
_journal_page_last               164
_journal_paper_doi               10.1180/minmag.1993.057.386.15
_journal_volume                  57
_journal_year                    1993
_chemical_formula_structural     KBSi3O8
_chemical_formula_sum            'B K O8 Si3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.683
_cell_length_b                   9.253
_cell_length_c                   8.272
_cell_volume                     664.604
_database_code_amcsd             0014498
_exptl_crystal_density_diffrn    2.620
_cod_original_formula_sum        'K (B Si3) O8'
_cod_database_code               9009480
_amcsd_formula_title             KBSi3O8
Asbecasite: crystal structure refinement and crystal chemistry
Sacerdoti, M.; Parodi, G. C.; Mottana, A.; Maras, A.; Ventura, G. D.; Mineralogical Magazine 57 (1993) 315–322; doi:10.1180/minmag.1993.057.387.14

data_9009481
_publ_section_title
;
 Asbecasite: crystal structure refinement and crystal chemistry
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              315
_journal_page_last               322
_journal_paper_doi               10.1180/minmag.1993.057.387.14
_journal_volume                  57
_journal_year                    1993
_chemical_formula_sum            'As6 Be2 Ca3 O20 Si2 Ti'
_chemical_name_mineral           Asbecasite
_space_group_IT_number           165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   8.318
_cell_length_b                   8.318
_cell_length_c                   15.264
_cell_formula_units_Z            2
_cell_volume                     914.612
_database_code_amcsd             0014499
_exptl_crystal_density_diffrn    3.674
_cod_original_formula_sum        'Ca3 As6 Ti Si2 Be2 O20'
_cod_database_code               9009481
Crystal structure of paralaurionite and its OD relationships with laurionite
Merlino, S.; Pasero, M.; Perchialli, N.; Mineralogical Magazine 57 (1993) 323–328; doi:10.1180/minmag.1993.057.387.15

data_9009482
_publ_section_title
;
 Crystal structure of paralaurionite and its OD relationships with laurionite
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              323
_journal_page_last               328
_journal_paper_doi               10.1180/minmag.1993.057.387.15
_journal_volume                  57
_journal_year                    1993
_chemical_formula_sum            'Cl H O Pb'
_chemical_name_mineral           Paralaurionite
_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                 117.24
_cell_angle_gamma                90
_cell_length_a                   10.865
_cell_length_b                   4.006
_cell_length_c                   7.233
_cell_formula_units_Z            4
_cell_volume                     279.903
_database_code_amcsd             0014500
_exptl_crystal_density_diffrn    6.162
_cod_original_cell_volume        279.904
_cod_original_formula_sum        'Pb Cl O H'
_cod_database_code               9009482
New structural and spectroscopic data for eosphorite Locality: Taquaral, Brazil
Hoyos, M. A.; Calderon, T.; Vergara, I.; Garcia-Sole J; Mineralogical Magazine 57 (1993) 329–336; doi:10.1180/minmag.1993.057.387.16

data_9009483
_publ_section_title
;
 New structural and spectroscopic data for eosphorite
 Locality: Taquaral, Brazil
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              329
_journal_page_last               336
_journal_paper_doi               10.1180/minmag.1993.057.387.16
_journal_volume                  57
_journal_year                    1993
_chemical_formula_sum            'Al Fe0.2 H4 Mn0.8 O7 P'
_chemical_name_mineral           Eosphorite
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.928
_cell_length_b                   10.445
_cell_length_c                   13.501
_cell_formula_units_Z            8
_cell_volume                     976.972
_exptl_crystal_density_diffrn    3.115
_cod_original_sg_symbol_H-M      'C m c a'
_cod_original_formula_sum        '(Mn.8 Fe.2) Al P O7 H4'
_cod_database_code               9009483
_database_code_amcsd 0014501
Effect of chlorine on the crystal structure of a chlorine-rich hastingsite
Makino, K.; Tomita, K.; Suwa, K.; Mineralogical Magazine 57 (1993) 677–685; doi:10.1180/minmag.1993.057.389.12

data_9009484
_publ_section_title
;
 Effect of chlorine on the crystal structure of a chlorine-rich hastingsite
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              677
_journal_page_last               685
_journal_paper_doi               10.1180/minmag.1993.057.389.12
_journal_volume                  57
_journal_year                    1993
_chemical_compound_source        'West Ongul, East Antarctica'
_chemical_formula_sum
'Al2.4 Ca1.992 Cl0.9 Fe3.771 H1.1 K0.685 Mg1.229 Na0.255 O23.1 Si5.6'
_chemical_name_mineral           Hastingsite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.87
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.962
_cell_length_b                   18.283
_cell_length_c                   5.372
_cell_volume                     945.663
_database_code_amcsd             0014502
_exptl_crystal_density_diffrn    3.433
_cod_original_cell_volume        945.664
_cod_original_formula_sum
'K.685 Na.255 Ca1.992 (Fe3.771 Mg1.229) Al2.4 Si5.6 O23.1 Cl.9 H1.1'
_cod_database_code               9009484