LMucko/crystallography-open-database huggingface dataset:
The crystal chemistry of complex niobium and tantalum oxides II. Composition and structure of wodginite from Wodgina, Australia
Graham, J.; Thornber, M. R.; American Mineralogist 59 (1974) 1040–1044; doi:

data_9000409
_publ_section_title
;The crystal chemistry of complex niobium and tantalum oxides II. Composition
 and structure of wodginite from Wodgina, Australia
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1040
_journal_page_last               1044
_journal_volume                  59
_journal_year                    1974
_chemical_formula_sum            'Fe0.01 Mn Nb0.3 O8 Sn0.47 Ta2.12'
_chemical_name_mineral           Wodginite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.21
_cell_angle_gamma                90
_cell_length_a                   9.530
_cell_length_b                   11.490
_cell_length_c                   5.098
_cell_formula_units_Z            4
_cell_volume                     558.105
_database_code_amcsd             0000419
_exptl_crystal_density_diffrn    7.745
_cod_original_formula_sum        'Ta2.12 Sn.47 Fe.01 Nb.3 Mn O8'
_cod_database_code               9000409
The high temperature crystal chemistry of clinohypersthene T = 20 C
Smyth, J. R.; American Mineralogist 59 (1974) 1069–1082; doi:

data_9000410
_publ_section_title
;
 The high temperature crystal chemistry of clinohypersthene
 T = 20 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1069
_journal_page_last               1082
_journal_volume                  59
_journal_year                    1974
_chemical_formula_sum            'Ca0.032 Fe1.337 Mg0.631 O6 Si2'
_chemical_name_mineral           Clinohypersthene
_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                 108.61
_cell_angle_gamma                90
_cell_length_a                   9.691
_cell_length_b                   8.993
_cell_length_c                   5.231
_cell_formula_units_Z            4
_cell_volume                     432.051
_database_code_amcsd             0000420
_diffrn_ambient_temperature      293.15
_exptl_crystal_density_diffrn    3.743
_cod_original_formula_sum        'Fe1.337 Mg.631 Ca.032 Si2 O6'
_cod_database_code               9000410
The high temperature crystal chemistry of clinohypersthene T = 200 C
Smyth, J. R.; American Mineralogist 59 (1974) 1069–1082; doi:

data_9000411
_publ_section_title
;
 The high temperature crystal chemistry of clinohypersthene
 T = 200 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1069
_journal_page_last               1082
_journal_volume                  59
_journal_year                    1974
_chemical_formula_sum            'Ca0.032 Fe1.332 Mg0.636 O6 Si2'
_chemical_name_mineral           Clinohypersthene
_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                 108.80
_cell_angle_gamma                90
_cell_length_a                   9.709
_cell_length_b                   9.008
_cell_length_c                   5.234
_cell_formula_units_Z            4
_cell_volume                     433.337
_database_code_amcsd             0000421
_diffrn_ambient_temperature      473.15
_exptl_crystal_density_diffrn    3.729
_cod_original_formula_sum        'Mg.636 Fe1.332 Ca.032 Si2 O6'
_cod_database_code               9000411
The high temperature crystal chemistry of clinohypersthene T = 400 C
Smyth, J. R.; American Mineralogist 59 (1974) 1069–1082; doi:

data_9000412
_publ_section_title
;
 The high temperature crystal chemistry of clinohypersthene
 T = 400 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1069
_journal_page_last               1082
_journal_volume                  59
_journal_year                    1974
_chemical_formula_sum            'Ca0.032 Fe1.332 Mg0.636 O6 Si2'
_chemical_name_mineral           Clinohypersthene
_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                 100.88
_cell_angle_gamma                90
_cell_length_a                   9.720
_cell_length_b                   9.027
_cell_length_c                   5.248
_cell_formula_units_Z            4
_cell_volume                     452.195
_database_code_amcsd             0000422
_diffrn_ambient_temperature      673.15
_exptl_crystal_density_diffrn    3.574
_cod_original_formula_sum        'Mg.636 Fe1.332 Ca.032 Si2 O6'
_cod_database_code               9000412
The high temperature crystal chemistry of clinohypersthene T = 600 C
Smyth, J. R.; American Mineralogist 59 (1974) 1069–1082; doi:

data_9000413
_publ_section_title
;
 The high temperature crystal chemistry of clinohypersthene
 T = 600 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1069
_journal_page_last               1082
_journal_volume                  59
_journal_year                    1974
_chemical_formula_sum            'Ca0.032 Fe1.332 Mg0.636 O6 Si2'
_chemical_name_mineral           Clinohypersthene
_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                 109.16
_cell_angle_gamma                90
_cell_length_a                   9.762
_cell_length_b                   9.046
_cell_length_c                   5.268
_cell_formula_units_Z            4
_cell_volume                     439.432
_database_code_amcsd             0000423
_diffrn_ambient_temperature      873.15
_exptl_crystal_density_diffrn    3.677
_cod_original_formula_sum        'Mg.636 Fe1.332 Ca.032 Si2 O6'
_cod_database_code               9000413
The high temperature crystal chemistry of clinohypersthene T = 700 C
Smyth, J. R.; American Mineralogist 59 (1974) 1069–1082; doi:

data_9000414
_publ_section_title
;
 The high temperature crystal chemistry of clinohypersthene
 T = 700 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1069
_journal_page_last               1082
_journal_volume                  59
_journal_year                    1974
_chemical_formula_sum            'Ca0.032 Fe1.333 Mg0.636 O6 Si2'
_chemical_name_mineral           Clinohypersthene
_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                 109.35
_cell_angle_gamma                90
_cell_length_a                   9.794
_cell_length_b                   9.057
_cell_length_c                   5.279
_cell_formula_units_Z            4
_cell_volume                     441.818
_database_code_amcsd             0000424
_diffrn_ambient_temperature      973.15
_exptl_crystal_density_diffrn    3.658
_cod_original_formula_sum        'Mg.636 Fe1.333 Ca.032 Si2 O6'
_cod_database_code               9000414
The high temperature crystal chemistry of clinohypersthene T = 760 C
Smyth, J. R.; American Mineralogist 59 (1974) 1069–1082; doi:

data_9000415
_publ_section_title
;
 The high temperature crystal chemistry of clinohypersthene
 T = 760 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1069
_journal_page_last               1082
_journal_volume                  59
_journal_year                    1974
_chemical_formula_sum            'Ca0.032 Fe1.332 Mg0.636 O6 Si2'
_chemical_name_mineral           Clinohypersthene
_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                 110.05
_cell_angle_gamma                90
_cell_length_a                   9.851
_cell_length_b                   9.045
_cell_length_c                   5.326
_cell_formula_units_Z            4
_cell_volume                     445.798
_database_code_amcsd             0000425
_diffrn_ambient_temperature      1033.15
_exptl_crystal_density_diffrn    3.625
_cod_original_formula_sum        'Mg.636 Fe1.332 Ca.032 Si2 O6'
_cod_database_code               9000415
The high temperature crystal chemistry of clinohypersthene T = 825 C
Smyth, J. R.; American Mineralogist 59 (1974) 1069–1082; doi:

data_9000416
_publ_section_title
;
 The high temperature crystal chemistry of clinohypersthene
 T = 825 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1069
_journal_page_last               1082
_journal_volume                  59
_journal_year                    1974
_chemical_formula_sum            'Ca0.032 Fe1.332 Mg0.636 O6 Si2'
_chemical_name_mineral           Clinohypersthene
_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                 110.15
_cell_angle_gamma                90
_cell_length_a                   9.870
_cell_length_b                   9.054
_cell_length_c                   5.328
_cell_formula_units_Z            4
_cell_volume                     446.984
_database_code_amcsd             0000426
_diffrn_ambient_temperature      1098.15
_exptl_crystal_density_diffrn    3.615
_cod_original_formula_sum        'Mg.636 Fe1.332 Ca.032 Si2 O6'
_cod_database_code               9000416
The crystal structure and composition of yedlinite
Wood, M. M.; McLean, W. J.; Laughon, R. B.; American Mineralogist 59 (1974) 1160–1165; doi:

data_9000417
_publ_section_title
;
 The crystal structure and composition of yedlinite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1160
_journal_page_last               1165
_journal_volume                  59
_journal_year                    1974
_chemical_formula_sum            'Cl6 Cr H4 O8 Pb6'
_chemical_name_mineral           Yedlinite
_space_group_IT_number           148
_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                   12.868
_cell_length_b                   12.868
_cell_length_c                   9.821
_cell_volume                     1408.343
_database_code_amcsd             0000428
_exptl_crystal_density_diffrn    5.801
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Pb6 Cl6 Cr O8 H4'
_cod_database_code               9000417
The crystal structures of gillespite I and II: A structure determination at high pressure P = 1 atm
Hazen, R. M.; Burnham, C. W.; American Mineralogist 59 (1974) 1166–1176; doi:

data_9000418
_publ_section_title
;
 The crystal structures of gillespite I and II: A structure determination at
 high pressure
 P = 1 atm
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1166
_journal_page_last               1176
_journal_volume                  59
_journal_year                    1974
_chemical_formula_sum            'Ba Fe O10 Si4'
_chemical_name_mineral           Gillespite
_space_group_IT_number           130
_symmetry_space_group_name_Hall  'P 4ab 2n -1ab'
_symmetry_space_group_name_H-M   'P 4/n c c :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.5164
_cell_length_b                   7.5164
_cell_length_c                   16.0768
_cell_formula_units_Z            4
_cell_volume                     908.279
_database_code_amcsd             0000429
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    3.404
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        'Ba Fe Si4 O10'
_cod_database_code               9000418
The crystal structures of gillespite I and II: A structure determination at high pressure P = 26 kbar, known as gillespite II
Hazen, R. M.; Burnham, C. W.; American Mineralogist 59 (1974) 1166–1176; doi:

data_9000419
_publ_section_title
;
 The crystal structures of gillespite I and II: A structure determination at
 high pressure
 P = 26 kbar, known as gillespite II
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1166
_journal_page_last               1176
_journal_volume                  59
_journal_year                    1974
_chemical_formula_sum            'Ba Fe O10 Si4'
_chemical_name_mineral           Gillespite
_space_group_IT_number           18
_symmetry_space_group_name_Hall  'P 2 2ab'
_symmetry_space_group_name_H-M   'P 21 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.349
_cell_length_b                   7.515
_cell_length_c                   7.894
_cell_formula_units_Z            2
_cell_volume                     435.968
_database_code_amcsd             0000430
_diffrn_ambient_pressure         2.6e+06
_exptl_crystal_density_diffrn    3.546
_cod_original_formula_sum        'Ba Fe Si4 O10'
_cod_database_code               9000419
The crystal structure of hurlbutite: A comparison with danburite and anorthite
Lindbloom, J. T.; Gibbs, G. V.; Ribbe, P. H.; American Mineralogist 59 (1974) 1267–1271; doi:

data_9000420
_publ_section_title
;The crystal structure of hurlbutite: A comparison with danburite and
 anorthite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1267
_journal_page_last               1271
_journal_volume                  59
_journal_year                    1974
_chemical_formula_sum            'Be2 Ca O8 P2'
_chemical_name_mineral           Hurlbutite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.5
_cell_angle_gamma                90
_cell_length_a                   8.299
_cell_length_b                   8.782
_cell_length_c                   7.798
_cell_formula_units_Z            4
_cell_volume                     568.311
_database_code_amcsd             0000431
_exptl_crystal_density_diffrn    2.899
_cod_original_formula_sum        'Ca P2 Be2 O8'
_cod_database_code               9000420
Stewartite, MnFe2(OH)2(H2O)6[PO4]2.2H2O: Its atomic arrangement
Moore, P. B.; Araki, T.; American Mineralogist 59 (1974) 1272–1276; doi:

data_9000421
_publ_section_title
;
 Stewartite, MnFe2(OH)2(H2O)6[PO4]2.2H2O: Its atomic arrangement
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1272
_journal_page_last               1276
_journal_volume                  59
_journal_year                    1974
_chemical_formula_sum            'Fe2 H18 Mn O18 P2'
_chemical_name_mineral           Stewartite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.10
_cell_angle_beta                 109.10
_cell_angle_gamma                71.83
_cell_formula_units_Z            2
_cell_length_a                   10.398
_cell_length_b                   10.672
_cell_length_c                   7.223
_cell_volume                     715.122
_database_code_amcsd             0000432
_exptl_crystal_density_diffrn    2.483
_cod_original_formula_sum        'Mn Fe2 P2 O18 H18'
_cod_database_code               9000421
A re-investigation of the crystal structures of chevkinite and perrierite Coordinates to O8 revised by Dr. Zhuming Yang, December 2001
Calvo, C.; Faggiani, R.; American Mineralogist 59 (1974) 1277–1285; doi:

data_9000422
_publ_section_title
;
 A re-investigation of the crystal structures of chevkinite and perrierite
 Coordinates to O8 revised by Dr. Zhuming Yang, December 2001
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1277
_journal_page_last               1285
_journal_volume                  59
_journal_year                    1974
_chemical_compound_source        'natural, but location not given'
_chemical_formula_sum            'Mg1.999 Nd4 O22 Si4 Ti3.001'
_chemical_name_mineral           Chevkinite-(Nd)
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.91
_cell_angle_gamma                90
_cell_length_a                   13.328
_cell_length_b                   5.727
_cell_length_c                   10.971
_cell_formula_units_Z            2
_cell_volume                     822.275
_database_code_amcsd             0000433
_exptl_crystal_density_diffrn    4.982
_cod_original_formula_sum        'Nd4 Si4 Mg1.999 Ti3.001 O22'
_cod_database_code               9000422
A re-investigation of the crystal structures of chevkinite and perrierite
Calvo, C.; Faggiani, R.; American Mineralogist 59 (1974) 1277–1285; doi:

data_9000423
_publ_section_title
;
 A re-investigation of the crystal structures of chevkinite and perrierite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1277
_journal_page_last               1285
_journal_volume                  59
_journal_year                    1974
_chemical_compound_source        'natural, but location not given'
_chemical_formula_sum            'Co2 Nd4 O22 Si4 Ti3'
_chemical_name_mineral           Chevkinite-(Nd)
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.82
_cell_angle_gamma                90
_cell_length_a                   13.325
_cell_length_b                   5.706
_cell_length_c                   10.998
_cell_formula_units_Z            2
_cell_volume                     821.339
_database_code_amcsd             0000434
_exptl_crystal_density_diffrn    5.268
_cod_original_formula_sum        'Nd4 Si4 Co2 Ti3 O22'
_cod_database_code               9000423
A re-investigation of the crystal structures of chevkinite and perrierite
Calvo, C.; Faggiani, R.; American Mineralogist 59 (1974) 1277–1285; doi:

data_9000424
_publ_section_title
;
 A re-investigation of the crystal structures of chevkinite and perrierite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1277
_journal_page_last               1285
_journal_volume                  59
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_sum            'La4 Mg2 O22 Si4 Ti3'
_chemical_name_mineral           Perrierite-(La)
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.85
_cell_angle_gamma                90
_cell_length_a                   13.818
_cell_length_b                   5.677
_cell_length_c                   11.787
_cell_formula_units_Z            2
_cell_volume                     845.672
_database_code_amcsd             0000435
_exptl_crystal_density_diffrn    4.760
_cod_original_formula_sum        'La4 Si4 Mg2 Ti3 O22'
_cod_database_code               9000424
The refinement of the crystal structure of a synthetic non-stoichiometric Sr feldspar
Grundy, H. D.; Ito, J.; American Mineralogist 59 (1974) 1319–1326; doi:

data_9000425
_publ_section_title
;
 The refinement of the crystal structure of a synthetic non-stoichiometric Sr
 feldspar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1319
_journal_page_last               1326
_journal_volume                  59
_journal_year                    1974
_chemical_formula_sum            'Al1.74 Na0.03 O8 Si2.26 Sr0.84'
_chemical_name_mineral           Feldspar
_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                 115.599
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.3282
_cell_length_b                   12.9801
_cell_length_c                   7.1358
_cell_volume                     695.667
_database_code_amcsd             0000436
_exptl_crystal_density_diffrn    2.986
_cod_original_formula_sum        '(Si2.26 Al1.74) Sr.84 Na.03 O8'
_cod_database_code               9000425
Thermal expansion of the pentlandite structure Frood, at 24 deg C
Rajamani, V.; Prewitt, C. T.; American Mineralogist 60 (1975) 39–48; doi:

data_9000426
_publ_section_title
;
 Thermal expansion of the pentlandite structure
 Frood, at 24 deg C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              39
_journal_page_last               48
_journal_volume                  60
_journal_year                    1975
_chemical_formula_sum            'Co0.072 Fe3.969 Ni4.842 S8'
_chemical_name_mineral           Pentlandite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.038
_cell_length_b                   10.038
_cell_length_c                   10.038
_cell_formula_units_Z            4
_cell_volume                     1011.443
_database_code_amcsd             0000437
_exptl_crystal_density_diffrn    5.034
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Fe3.969 Ni4.842 Co.072 S8'
_cod_database_code               9000426
Thermal expansion of the pentlandite structure Frood, at 200 deg C
Rajamani, V.; Prewitt, C. T.; American Mineralogist 60 (1975) 39–48; doi:

data_9000427
_publ_section_title
;
 Thermal expansion of the pentlandite structure
 Frood, at 200 deg C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              39
_journal_page_last               48
_journal_volume                  60
_journal_year                    1975
_chemical_formula_sum            'Co0.072 Fe3.969 Ni4.842 S8'
_chemical_name_mineral           Pentlandite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.158
_cell_length_b                   10.158
_cell_length_c                   10.158
_cell_formula_units_Z            4
_cell_volume                     1048.153
_database_code_amcsd             0000438
_exptl_crystal_density_diffrn    4.858
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Fe3.969 Ni4.842 Co.072 S8'
_cod_database_code               9000427