LMucko/crystallography-open-database huggingface dataset:
The crystal structures of near-end-member phlogopite at high temperatures and heat-treated Fe-rich phlogopite: The influence of the O, OH, F site Sample: T = 20 deg C
Russell, R. L.; Guggenheim, S.; The Canadian Mineralogist 37 (1999) 711–720; doi:

data_9004524
_publ_section_title
;
 The crystal structures of near-end-member phlogopite at high temperatures
 and heat-treated Fe-rich phlogopite: The influence of the O, OH, F site
 Sample: T = 20 deg C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              711
_journal_page_last               720
_journal_volume                  37
_journal_year                    1999
_chemical_compound_source        'White Well, Australia'
_chemical_formula_sum
'Al1.711 F0.068 Fe0.12 H1.932 K0.82 Mg2.28 Na0.115 O11.932 Si2.784'
_chemical_name_mineral           Phlogopite
_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                 100.05
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3030
_cell_length_b                   9.1805
_cell_length_c                   10.2483
_cell_volume                     491.275
_database_code_amcsd             0005599
_diffrn_ambient_temperature      293.15
_exptl_crystal_density_diffrn    2.808
_exptl_crystal_thermal_history
;heat-treated Fe-rich phlogopite: The influence of the O, OH, F site Sample: T
 = 20 deg C
;
_cod_original_formula_sum
'K.82 Na.115 Mg2.28 Al1.711 Fe.12 Si2.784 O11.932 (F.068 H1.932)'
_cod_database_code               9004524
The crystal structures of near-end-member phlogopite at high temperatures and heat-treated Fe-rich phlogopite: The influence of the O, OH, F site Sample: T = 300 deg C
Russell, R. L.; Guggenheim, S.; The Canadian Mineralogist 37 (1999) 711–720; doi:

data_9004525
_publ_section_title
;
 The crystal structures of near-end-member phlogopite at high temperatures
 and heat-treated Fe-rich phlogopite: The influence of the O, OH, F site
 Sample: T = 300 deg C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              711
_journal_page_last               720
_journal_volume                  37
_journal_year                    1999
_chemical_compound_source        'White Well, Australia'
_chemical_formula_sum
'Al1.711 F0.068 Fe0.12 H1.932 K0.82 Mg2.28 Na0.115 O11.932 Si2.784'
_chemical_name_mineral           Phlogopite
_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                 100.042
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3193
_cell_length_b                   9.207
_cell_length_c                   10.286
_cell_volume                     496.037
_database_code_amcsd             0005600
_diffrn_ambient_temperature      573.15
_exptl_crystal_density_diffrn    2.781
_exptl_crystal_thermal_history
;heat-treated Fe-rich phlogopite: The influence of the O, OH, F site Sample: T
 = 300 deg C
;
_cod_original_formula_sum
'K.82 Na.115 Mg2.28 Al1.711 Fe.12 Si2.784 O11.932 (F.068 H1.932)'
_cod_database_code               9004525
The crystal structures of near-end-member phlogopite at high temperatures and heat-treated Fe-rich phlogopite: The influence of the O, OH, F site Sample: T = 450 deg C
Russell, R. L.; Guggenheim, S.; The Canadian Mineralogist 37 (1999) 711–720; doi:

data_9004526
_publ_section_title
;
 The crystal structures of near-end-member phlogopite at high temperatures
 and heat-treated Fe-rich phlogopite: The influence of the O, OH, F site
 Sample: T = 450 deg C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              711
_journal_page_last               720
_journal_volume                  37
_journal_year                    1999
_chemical_compound_source        'White Well, Australia'
_chemical_formula_sum
'Al1.711 F0.068 Fe0.12 H1.932 K0.82 Mg2.28 Na0.115 O11.932 Si2.784'
_chemical_name_mineral           Phlogopite
_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                 100.004
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.3331
_cell_length_b                   9.2316
_cell_length_c                   10.3159
_cell_volume                     500.161
_database_code_amcsd             0005601
_diffrn_ambient_temperature      723.15
_exptl_crystal_density_diffrn    2.758
_exptl_crystal_thermal_history
;heat-treated Fe-rich phlogopite: The influence of the O, OH, F site Sample: T
 = 450 deg C
;
_cod_original_formula_sum
'K.82 Na.115 Mg2.28 Al1.711 Fe.12 Si2.784 O11.932 (F.068 H1.932)'
_cod_database_code               9004526
The crystal structures of near-end-member phlogopite at high temperatures and heat-treated Fe-rich phlogopite: The influence of the O, OH, F site Sample: T = 600 deg C
Russell, R. L.; Guggenheim, S.; The Canadian Mineralogist 37 (1999) 711–720; doi:

data_9004527
_publ_section_title
;
 The crystal structures of near-end-member phlogopite at high temperatures
 and heat-treated Fe-rich phlogopite: The influence of the O, OH, F site
 Sample: T = 600 deg C
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              711
_journal_page_last               720
_journal_volume                  37
_journal_year                    1999
_chemical_compound_source        'White Well, Australia'
_chemical_formula_sum
'Al1.711 F0.068 Fe0.12 H1.932 K0.82 Mg2.28 Na0.115 O11.932 Si2.784'
_chemical_name_mineral           Phlogopite
_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                 99.99
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.342
_cell_length_b                   9.238
_cell_length_c                   10.357
_cell_volume                     503.362
_database_code_amcsd             0005602
_diffrn_ambient_temperature      873.15
_exptl_crystal_density_diffrn    2.740
_exptl_crystal_thermal_history
;heat-treated Fe-rich phlogopite: The influence of the O, OH, F site Sample: T
 = 600 deg C
;
_cod_original_formula_sum
'K.82 Na.115 Mg2.28 Al1.711 Fe.12 Si2.784 O11.932 (F.068 H1.932)'
_cod_database_code               9004527
The crystal structure of choloalite
Lam, A. E.; Groat, L. A.; Grice, J. D.; Ercit, T. S.; The Canadian Mineralogist 37 (1999) 721–729; doi:

data_9004528
_publ_section_title
;
 The crystal structure of choloalite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              721
_journal_page_last               729
_journal_volume                  37
_journal_year                    1999
_chemical_formula_sum            'Ca0.3 Cl0.92 Cu2.79 O18 Pb2.7 Sb0.21 Te6'
_chemical_name_mineral           Choloalite
_space_group_IT_number           213
_symmetry_space_group_name_Hall  'P 4bd 2ab 3'
_symmetry_space_group_name_H-M   'P 41 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.520
_cell_length_b                   12.520
_cell_length_c                   12.520
_cell_formula_units_Z            4
_cell_volume                     1962.515
_database_code_amcsd             0005603
_exptl_crystal_density_diffrn    6.297
_cod_original_formula_sum        'Te6 (Cu2.79 Sb.21) (Pb2.7 Ca.3) O18 Cl.92'
_cod_database_code               9004528
Hydrogen-atom positions in P4/nnc vesuvianite
Lager, G. A.; Xie, Q.; Ross, F. K.; Rossman, G. R.; Armbruster, T.; Rotella, F. J.; Schultz, A. J.; The Canadian Mineralogist 37 (1999) 763–768; doi:

data_9004529
_publ_section_title
;
 Hydrogen-atom positions in P4/nnc vesuvianite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              763
_journal_page_last               768
_journal_volume                  37
_journal_year                    1999
_chemical_formula_sum
'Al4.36 Ca10 F0.72 Fe0.89 H5 Mg1.67 O38.28 Si9 Ti0.08'
_chemical_name_mineral           Vesuvianite
_space_group_IT_number           126
_symmetry_space_group_name_Hall  '-P 4a 2bc'
_symmetry_space_group_name_H-M   'P 4/n n c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   15.533
_cell_length_b                   15.533
_cell_length_c                   11.785
_cell_formula_units_Z            4
_cell_volume                     2843.415
_database_code_amcsd             0005604
_exptl_crystal_density_diffrn    3.496
_cod_original_sg_symbol_H-M      'P 4/n n c'
_cod_original_formula_sum
'Ca10 Mg1.67 Fe.89 Al4.36 Ti.08 Si9 O38.28 F.72 H5'
_cod_database_code               9004529
The crystal structure of darapiosite and a comparison with Li- and Zn-bearing minerals of the milarite group
Ferraris, G.; Prencipe, M.; Puatov, L. A.; Sokolova, E. V.; The Canadian Mineralogist 37 (1999) 769–774; doi:

data_9004530
_publ_section_title
;
 The crystal structure of darapiosite and a comparison
 with Li- and Zn-bearing minerals of the milarite group
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              769
_journal_page_last               774
_journal_volume                  37
_journal_year                    1999
_chemical_formula_sum
'Fe0.33 K1.36 Li1.53 Mg0.04 Mn1.46 Na1.22 O30 Si12 Y0.22 Zn1.14 Zr0.28'
_chemical_name_mineral           Darapiozite
_space_group_IT_number           192
_symmetry_space_group_name_Hall  '-P 6 2c'
_symmetry_space_group_name_H-M   'P 6/m c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.262
_cell_length_b                   10.262
_cell_length_c                   14.307
_cell_volume                     1304.798
_database_code_amcsd             0005605
_exptl_crystal_density_diffrn    2.871
_cod_original_formula_sum
'(Mn1.46 Zr.28 Y.22 Mg.04) Na1.22 K1.36 Si12 (Li1.53 Zn1.14 Fe.33) O30'
_cod_database_code               9004530
Redetermination of the crystal structure of hanawaltite
Grice, J. D.; The Canadian Mineralogist 37 (1999) 775–778; doi:

data_9004531
_publ_section_title
;
 Redetermination of the crystal structure of hanawaltite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              775
_journal_page_last               778
_journal_volume                  37
_journal_year                    1999
_chemical_formula_sum            'Cl2 Hg7 O3'
_chemical_name_mineral           Hanawaltite
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2a 2ab'
_symmetry_space_group_name_H-M   'P b m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.796
_cell_length_b                   13.890
_cell_length_c                   6.471
_cell_formula_units_Z            4
_cell_volume                     1060.250
_database_code_amcsd             0005606
_exptl_crystal_density_diffrn    9.541
_cod_original_formula_sum        'Hg7 Cl2 O3'
_cod_database_code               9004531
Stereoactive lone-pair behavior of Pb in the crystal structure of bideauxite: Pb2AgCl3F(OH) Sample: CH
Cooper M A; Hawthorne F C; Merlino S; Pasero M; Perchiazzi N; The Canadian Mineralogist 37 (1999) 915–921; doi:

data_9004532
_publ_section_title
;
 Stereoactive lone-pair behavior of Pb in the crystal structure of
 bideauxite: Pb2AgCl3F(OH)
 Sample: CH
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              915
_journal_page_last               921
_journal_volume                  37
_journal_year                    1999
_chemical_formula_sum            'Ag Cl3 F H0.36 O Pb2'
_chemical_name_mineral           Bideauxite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   14.1273
_cell_length_b                   14.1273
_cell_length_c                   14.1273
_cell_volume                     2819.535
_database_code_amcsd             0005624
_exptl_crystal_density_diffrn    6.263
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Pb2 Ag Cl3 O F H.36'
_cod_database_code               9004532
Stereoactive lone-pair behavior of Pb in the crystal structure of bideauxite: Pb2AgCl3F(OH) Sample MPP
Cooper M A; Hawthorne F C; Merlino S; Pasero M; Perchiazzi N; The Canadian Mineralogist 37 (1999) 915–921; doi:

data_9004533
_publ_section_title
;
 Stereoactive lone-pair behavior of Pb in the crystal structure of
 bideauxite: Pb2AgCl3F(OH)
 Sample MPP
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              915
_journal_page_last               921
_journal_volume                  37
_journal_year                    1999
_chemical_formula_sum            'Ag Cl3 F H0.36 O Pb2'
_chemical_name_mineral           Bideauxite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   14.1376
_cell_length_b                   14.1376
_cell_length_c                   14.1376
_cell_volume                     2825.707
_database_code_amcsd             0005625
_exptl_crystal_density_diffrn    6.249
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Pb2 Ag Cl3 O F H.36'
_cod_database_code               9004533
Crystal-structure determination of twinned kettnerite
Grice, J. D.; Cooper, M. A.; Hawthorne, F. C.; The Canadian Mineralogist 37 (1999) 923–927; doi:

data_9004534
_publ_section_title
;
 Crystal-structure determination of twinned kettnerite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              923
_journal_page_last               927
_journal_volume                  37
_journal_year                    1999
_chemical_formula_sum            'C Bi Ca F O4'
_chemical_name_mineral           Kettnerite
_space_group_IT_number           59
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.7976
_cell_length_b                   3.7976
_cell_length_c                   13.569
_cell_formula_units_Z            2
_cell_volume                     195.689
_database_code_amcsd             0005626
_exptl_crystal_density_diffrn    5.839
_cod_original_sg_symbol_H-M      'P m m n'
_cod_original_formula_sum        'Ca Bi C O4 F'
_cod_database_code               9004534
Refinement of the crystal structure of rutherfordine
Finch, R. J.; Cooper, M. A.; Hawthorne, F. C.; Ewing, R. C.; The Canadian Mineralogist 37 (1999) 929–938; doi:

data_9004535
_publ_section_title
;
 Refinement of the crystal structure of rutherfordine
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              929
_journal_page_last               938
_journal_volume                  37
_journal_year                    1999
_chemical_formula_sum            'C O5 U'
_chemical_name_mineral           Rutherfordine
_space_group_IT_number           44
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.840
_cell_length_b                   9.273
_cell_length_c                   4.298
_cell_formula_units_Z            2
_cell_volume                     192.900
_database_code_amcsd             0005627
_exptl_crystal_density_diffrn    5.682
_cod_original_formula_sum        'U C O5'
_cod_database_code               9004535
The crystal structure of ludwigite
Irwin, M. B.; Peterson, R. C.; The Canadian Mineralogist 37 (1999) 939–943; doi:

data_9004536
_publ_section_title
;
 The crystal structure of ludwigite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              939
_journal_page_last               943
_journal_volume                  37
_journal_year                    1999
_chemical_compound_source        'Crestmore quarry, California, USA'
_chemical_formula_sum            'Al0.08 B Fe1.214 Mg1.707 O5'
_chemical_name_mineral           Ludwigite
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.2411
_cell_length_b                   12.2948
_cell_length_c                   3.0213
_cell_formula_units_Z            4
_cell_volume                     343.272
_database_code_amcsd             0005628
_exptl_crystal_density_diffrn    3.913
_cod_original_formula_sum        'Mg1.707 Fe1.214 Al.08 B O5'
_cod_database_code               9004536
Walforite, a new tellurite species from the Wendy Open Pit, El Indio-Tambo Mining Property, Chile
Back, M. E.; Grice, J. D.; Gault, R. A.; Criddle, A. J.; Mandarino, J. A.; The Canadian Mineralogist 37 (1999) 1261–1268; doi:

data_9004537
_publ_section_title
;
 Walforite, a new tellurite species from the Wendy Open Pit, El Indio-Tambo
 Mining Property, Chile
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1261
_journal_page_last               1268
_journal_volume                  37
_journal_year                    1999
_chemical_compound_source
'Wendy Open Pit, El Indio-Tambo Mining Property, Chile'
_chemical_formula_sum            'Fe0.59 Mg0.05 O8 Te3.28 Ti0.08'
_chemical_name_mineral           Walfordite
_space_group_IT_number           206
_symmetry_space_group_name_Hall  '-I 2b 2c 3'
_symmetry_space_group_name_H-M   'I a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.011
_cell_length_b                   11.011
_cell_length_c                   11.011
_cell_volume                     1334.997
_database_code_amcsd             0005629
_exptl_crystal_density_diffrn    5.816
_cod_original_sg_symbol_H-M      'I 21/a -3'
_cod_original_formula_sum        'Fe.59 Te3.28 Ti.08 Mg.05 O8'
_cod_database_code               9004537
The structure topology of sidpietersite, Pb4(SO3S)O2(OH)2, a novel thiosulfate structure
Cooper, M. A.; Hawthorne, F. C.; The Canadian Mineralogist 37 (1999) 1275–1282; doi:

data_9004538
_publ_section_title
;
 The structure topology of sidpietersite, Pb4(SO3S)O2(OH)2,
 a novel thiosulfate structure
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1275
_journal_page_last               1282
_journal_volume                  37
_journal_year                    1999
_chemical_formula_sum            'H2 O7 Pb4 S2'
_chemical_name_mineral           Sidpietersite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                114.33
_cell_angle_beta                 89.65
_cell_angle_gamma                88.69
_cell_formula_units_Z            2
_cell_length_a                   7.455
_cell_length_b                   6.496
_cell_length_c                   11.207
_cell_volume                     494.327
_database_code_amcsd             0005630
_exptl_crystal_density_diffrn    6.765
_cod_depositor_comments
;

2017-09-06
Z value inserted to be consistent with given formula
                 miguel
;
_cod_original_formula_sum        'Pb4 S2 O7 H2'
_cod_database_code               9004538
The structure of a synthetic Cs uranyl oxide hydrate and its relationship to compreignacite
Hill, F. C.; Burns, P. C.; The Canadian Mineralogist 37 (1999) 1283–1288; doi:

data_9004539
_publ_section_title
;
 The structure of a synthetic Cs uranyl oxide hydrate and its relationship to
 compreignacite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1283
_journal_page_last               1288
_journal_volume                  37
_journal_year                    1999
_chemical_formula_structural     Cs3[(UO2)12O7(OH)13](H2O)3
_chemical_formula_sum            'Cs3 H19 O47 U12'
_space_group_IT_number           146
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   14.1241
_cell_length_b                   14.1241
_cell_length_c                   22.4073
_cell_volume                     3871.165
_database_code_amcsd             0005631
_exptl_crystal_density_diffrn    5.177
_cod_original_sg_symbol_H-M      'R 3'
_cod_original_formula_sum        'U12 Cs3 O47 H19'
_cod_database_code               9004539
_amcsd_formula_title             Cs3[(UO2)12O7(OH)13](H2O)3
Ta-Nb order in the crystal structure of niobium-rich calciotantite
Cooper, M. A.; Hawthorne, F. C.; Cerny, P.; The Canadian Mineralogist 37 (1999) 1289–1294; doi:

data_9004540
_publ_section_title
;
 Ta-Nb order in the crystal structure of niobium-rich calciotantite
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1289
_journal_page_last               1294
_journal_volume                  37
_journal_year                    1999
_chemical_formula_sum            'Ca Nb1.179 O11 Ta2.821'
_chemical_name_mineral           Calciotantite
_space_group_IT_number           182
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.2261
_cell_length_b                   6.2261
_cell_length_c                   12.280
_cell_formula_units_Z            2
_cell_volume                     412.250
_database_code_amcsd             0005632
_exptl_crystal_density_diffrn    6.735
_cod_original_formula_sum        '(Ta2.821 Nb1.179) Ca O11'
_cod_database_code               9004540