LMucko/crystallography-open-database huggingface dataset:
The crystal structures of high albite and monalbite at high temperatures T = 950 deg C feldspar
Prewitt, C. T.; Sueno, S.; Papike, J. J.; American Mineralogist 61 (1976) 1213–1225; doi:

data_9016751
_publ_section_title
;
 The crystal structures of high albite and monalbite at high temperatures
 T = 950 deg C
 feldspar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1213
_journal_page_last               1225
_journal_volume                  61
_journal_year                    1976
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al Ca0.012 K0.005 Na0.983 O8 Si3'
_chemical_name_mineral           Albite
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                91.161
_cell_angle_beta                 116.169
_cell_angle_gamma                90.030
_cell_formula_units_Z            4
_cell_length_a                   8.2508
_cell_length_b                   12.9489
_cell_length_c                   7.1431
_cell_volume                     684.755
_database_code_amcsd             0000540
_diffrn_ambient_temperature      1223.15
_exptl_crystal_density_diffrn    2.546
_cod_data_source_file            inputs/fixed/downloads/00/00621.cif
_cod_data_source_block           00621
_cod_original_formula_sum        '(Na.983 Ca.012 K.005) (Si3 Al) O8'
_cod_database_code               9016751
The crystal structures of high albite and monalbite at high temperatures T = 1090 deg C feldspar
Prewitt, C. T.; Sueno, S.; Papike, J. J.; American Mineralogist 61 (1976) 1213–1225; doi:

data_9016752
_publ_section_title
;
 The crystal structures of high albite and monalbite at high temperatures
 T = 1090 deg C
 feldspar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1213
_journal_page_last               1225
_journal_volume                  61
_journal_year                    1976
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al Ca0.012 K0.005 Na0.983 O8 Si3'
_chemical_name_mineral           Albite
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90.097
_cell_angle_beta                 116.092
_cell_angle_gamma                89.988
_cell_formula_units_Z            4
_cell_length_a                   8.2763
_cell_length_b                   12.9593
_cell_length_c                   7.1463
_cell_volume                     688.363
_database_code_amcsd             0000541
_diffrn_ambient_temperature      1363.15
_exptl_crystal_density_diffrn    2.533
_cod_data_source_file            inputs/fixed/downloads/00/00622.cif
_cod_data_source_block           00622
_cod_original_formula_sum        '(Na.983 Ca.012 K.005) (Si3 Al) O8'
_cod_database_code               9016752
The crystal structures of high albite and monalbite at high temperatures T = 1105 deg C feldspar
Prewitt, C. T.; Sueno, S.; Papike, J. J.; American Mineralogist 61 (1976) 1213–1225; doi:

data_9016753
_publ_section_title
;
 The crystal structures of high albite and monalbite at high temperatures
 T = 1105 deg C
 feldspar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1213
_journal_page_last               1225
_journal_volume                  61
_journal_year                    1976
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al Ca0.012 K0.005 Na0.983 O8 Si3'
_chemical_name_mineral           Albite
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90.056
_cell_angle_beta                 116.087
_cell_angle_gamma                89.997
_cell_formula_units_Z            4
_cell_length_a                   8.2783
_cell_length_b                   12.9592
_cell_length_c                   7.1452
_cell_volume                     688.448
_database_code_amcsd             0000542
_diffrn_ambient_temperature      1378.15
_exptl_crystal_density_diffrn    2.533
_cod_data_source_file            inputs/fixed/downloads/00/00623.cif
_cod_data_source_block           00623
_cod_original_formula_sum        '(Na.983 Ca.012 K.005) (Si3 Al) O8'
_cod_database_code               9016753
A high-temperature structural study of high albite, monalbite, and the analbite - monalbite phase transition T = 25 C
Winter, J. K.; Okamura, F. P.; Ghose, S.; American Mineralogist 64 (1979) 409–423; doi:

data_9016754
_publ_section_title
;
 A high-temperature structural study of high albite, monalbite, and the
 analbite - monalbite phase transition
 T = 25 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              409
_journal_page_last               423
_journal_volume                  64
_journal_year                    1979
_chemical_compound_source        'Tiburon, Marin County, California, USA'
_chemical_formula_sum            'Al K0.002 Na0.998 O8 Si3'
_chemical_name_mineral           Albite
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                93.53
_cell_angle_beta                 116.46
_cell_angle_gamma                90.24
_cell_formula_units_Z            4
_cell_length_a                   8.161
_cell_length_b                   12.875
_cell_length_c                   7.110
_cell_volume                     667.122
_database_code_amcsd             0000715
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    2.611
_cod_data_source_file            inputs/fixed/downloads/00/00794.cif
_cod_data_source_block           00794
_cod_original_formula_sum        '(Na.998 K.002) (Si3 Al) O8'
_cod_database_code               9016754
A high-temperature structural study of high albite, monalbite, and the analbite - monalbite phase transition T = 500 C
Winter, J. K.; Okamura, F. P.; Ghose, S.; American Mineralogist 64 (1979) 409–423; doi:

data_9016755
_publ_section_title
;
 A high-temperature structural study of high albite, monalbite, and the
 analbite - monalbite phase transition
 T = 500 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              409
_journal_page_last               423
_journal_volume                  64
_journal_year                    1979
_chemical_compound_source        'Tiburon, Marin County, California, USA'
_chemical_formula_sum            'Al K0.002 Na0.998 O8 Si3'
_chemical_name_mineral           Albite
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                92.65
_cell_angle_beta                 116.25
_cell_angle_gamma                90.12
_cell_formula_units_Z            4
_cell_length_a                   8.208
_cell_length_b                   12.934
_cell_length_c                   7.134
_cell_volume                     678.316
_database_code_amcsd             0000716
_diffrn_ambient_temperature      773.15
_exptl_crystal_density_diffrn    2.568
_cod_data_source_file            inputs/fixed/downloads/00/00795.cif
_cod_data_source_block           00795
_cod_original_formula_sum        '(Na.998 K.002) (Si3 Al) O8'
_cod_database_code               9016755
A high-temperature structural study of high albite, monalbite, and the analbite - monalbite phase transition T = 750 C
Winter, J. K.; Okamura, F. P.; Ghose, S.; American Mineralogist 64 (1979) 409–423; doi:

data_9016756
_publ_section_title
;
 A high-temperature structural study of high albite, monalbite, and the
 analbite - monalbite phase transition
 T = 750 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              409
_journal_page_last               423
_journal_volume                  64
_journal_year                    1979
_chemical_compound_source        'Tiburon, Marin County, California, USA'
_chemical_formula_sum            'Al K0.002 Na0.998 O8 Si3'
_chemical_name_mineral           Albite
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                92
_cell_angle_beta                 116.17
_cell_angle_gamma                90.06
_cell_formula_units_Z            4
_cell_length_a                   8.234
_cell_length_b                   12.955
_cell_length_c                   7.143
_cell_volume                     683.315
_database_code_amcsd             0000717
_diffrn_ambient_temperature      1023.15
_exptl_crystal_density_diffrn    2.549
_cod_data_source_file            inputs/fixed/downloads/00/00796.cif
_cod_data_source_block           00796
_cod_original_formula_sum        '(Na.998 K.002) (Si3 Al) O8'
_cod_database_code               9016756
A high-temperature structural study of high albite, monalbite, and the analbite - monalbite phase transition T = 980 C
Winter, J. K.; Okamura, F. P.; Ghose, S.; American Mineralogist 64 (1979) 409–423; doi:

data_9016757
_publ_section_title
;
 A high-temperature structural study of high albite, monalbite, and the
 analbite - monalbite phase transition
 T = 980 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              409
_journal_page_last               423
_journal_volume                  64
_journal_year                    1979
_chemical_compound_source        'Tiburon, Marin County, California, USA'
_chemical_formula_sum            'Al K0.002 Na0.998 O8 Si3'
_chemical_name_mineral           Albite
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90.8
_cell_angle_beta                 116.1
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   8.259
_cell_length_b                   12.975
_cell_length_c                   7.151
_cell_volume                     688.080
_database_code_amcsd             0000718
_diffrn_ambient_temperature      1253.15
_exptl_crystal_density_diffrn    2.532
_cod_data_source_file            inputs/fixed/downloads/00/00797.cif
_cod_data_source_block           00797
_cod_original_formula_sum        '(Na.998 K.002) (Si3 Al) O8'
_cod_database_code               9016757
A high-temperature structural study of high albite, monalbite, and the analbite - monalbite phase transition T = 1040 C
Winter, J. K.; Okamura, F. P.; Ghose, S.; American Mineralogist 64 (1979) 409–423; doi:

data_9016758
_publ_section_title
;
 A high-temperature structural study of high albite, monalbite, and the
 analbite - monalbite phase transition
 T = 1040 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              409
_journal_page_last               423
_journal_volume                  64
_journal_year                    1979
_chemical_compound_source        'Tiburon, Marin County, California, USA'
_chemical_formula_sum            'Al K0.002 Na0.998 O8 Si3'
_chemical_name_mineral           Albite
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90.22
_cell_angle_beta                 116.05
_cell_angle_gamma                89.96
_cell_formula_units_Z            4
_cell_length_a                   8.270
_cell_length_b                   12.978
_cell_length_c                   7.154
_cell_volume                     689.817
_database_code_amcsd             0000719
_diffrn_ambient_temperature      1313.15
_exptl_crystal_density_diffrn    2.525
_cod_data_source_file            inputs/fixed/downloads/00/00798.cif
_cod_data_source_block           00798
_cod_original_formula_sum        '(Na.998 K.002) (Si3 Al) O8'
_cod_database_code               9016758
A high-temperature structural study of high albite, monalbite, and the analbite - monalbite phase transition T = 980 C, sample = monalbite
Winter, J. K.; Okamura, F. P.; Ghose, S.; American Mineralogist 64 (1979) 409–423; doi:

data_9016759
_publ_section_title
;
 A high-temperature structural study of high albite, monalbite, and the
 analbite - monalbite phase transition
 T = 980 C, sample = monalbite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              409
_journal_page_last               423
_journal_volume                  64
_journal_year                    1979
_chemical_compound_source        'Tiburon, Marin County, California, USA'
_chemical_formula_sum            'Al K0.002 Na0.998 O8 Si3'
_chemical_name_mineral           Albite
_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                 116.13
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.274
_cell_length_b                   12.991
_cell_length_c                   7.144
_cell_volume                     689.410
_database_code_amcsd             0000720
_diffrn_ambient_temperature      1253.15
_exptl_crystal_density_diffrn    2.527
_cod_data_source_file            inputs/fixed/downloads/00/00799.cif
_cod_data_source_block           00799
_cod_original_formula_sum        '(Na.998 K.002) (Si3 Al) O8'
_cod_database_code               9016759
A high-temperature structural study of high albite, monalbite, and the analbite - monalbite phase transition T = 1060 deg C, sample = monalbite
Winter, J. K.; Okamura, F. P.; Ghose, S.; American Mineralogist 64 (1979) 409–423; doi:

data_9016760
_publ_section_title
;
 A high-temperature structural study of high albite, monalbite, and the
 analbite - monalbite phase transition
 T = 1060 deg C, sample = monalbite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              409
_journal_page_last               423
_journal_volume                  64
_journal_year                    1979
_chemical_compound_source        'Tiburon, Marin County, California, USA'
_chemical_formula_sum            'Al K0.002 Na0.998 O8 Si3'
_chemical_name_mineral           'Albite		'
_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                 116.01
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.297
_cell_length_b                   12.994
_cell_length_c                   7.144
_cell_volume                     692.195
_database_code_amcsd             0000721
_diffrn_ambient_temperature      1333.15
_exptl_crystal_density_diffrn    2.517
_cod_data_source_file            inputs/fixed/downloads/00/00800.cif
_cod_data_source_block           00800
_cod_original_formula_sum        '(Na.998 K.002) (Si3 Al) O8'
_cod_database_code               9016760
Structure variation in low cordierites Note: sample sci 552
Wallace, J. H.; Wenk, H. R.; American Mineralogist 65 (1980) 96–111; doi:

data_9016761
_publ_section_title
;
 Structure variation in low cordierites
 Note: sample sci 552
;
_journal_name_full               'American Mineralogist'
_journal_page_first              96
_journal_page_last               111
_journal_volume                  65
_journal_year                    1980
_chemical_compound_source        'contact of Bergell granite, Switzerland'
_chemical_formula_sum            'Al3.856 Fe0.772 H0.72 Mg1.176 O18.72 Si4.878'
_chemical_name_mineral           Cordierite
_space_group_IT_number           66
_space_group_name_Hall           '-C 2 2c'
_space_group_name_H-M_alt        'C c c m'
_symmetry_space_group_name_H-M   'C c c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.140
_cell_length_b                   9.769
_cell_length_c                   9.321
_cell_volume                     1560.714
_database_code_amcsd             0000769
_exptl_crystal_density_diffrn    2.609
_cod_data_source_file            inputs/fixed/downloads/00/00847.cif
_cod_data_source_block           00847
_cod_original_formula_sum        'Mg1.176 Fe.772 Al3.856 Si4.878 O18.72 H.72'
_cod_database_code               9016761
The crystal structure of erdite, NaFeS2*2H2O
Konnert, J. A.; Evans, H. T.; American Mineralogist 65 (1980) 516–521; doi:

data_9016762
_publ_section_title
;
 The crystal structure of erdite, NaFeS2*2H2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              516
_journal_page_last               521
_journal_volume                  65
_journal_year                    1980
_chemical_compound_source        'Coyote Peak, Humboldt County, California, USA'
_chemical_formula_sum            'Fe H4 Na O2 S2'
_chemical_name_mineral           Erdite
_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                 92.17
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.693
_cell_length_b                   9.115
_cell_length_c                   5.507
_cell_volume                     536.364
_database_code_amcsd             0000785
_exptl_crystal_density_diffrn    2.217
_cod_data_source_file            inputs/fixed/downloads/00/00862.cif
_cod_data_source_block           00862
_cod_original_formula_sum        'Na Fe S2 (O2 H4)'
_cod_database_code               9016762
Crystal structures of cetineite and its synthetic Na analogue Na3.6(Sb2O3)3(SbS3)(OH)0.6.2.4(H2O)
Sabelli, C.; Nakai, I.; Katsura, S.; American Mineralogist 73 (1988) 398–404; doi:

data_9016763
_publ_section_title
;
 Crystal structures of cetineite and its synthetic Na analogue
 Na3.6(Sb2O3)3(SbS3)(OH)0.6.2.4(H2O)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              398
_journal_page_last               404
_journal_volume                  73
_journal_year                    1988
_chemical_formula_sum            'H5.64 K2.4 Na0.58 O11.82 S3 Sb7'
_chemical_name_mineral           Cetineite
_space_group_IT_number           173
_space_group_name_Hall           'P 6c'
_space_group_name_H-M_alt        'P 63'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   14.2513
_cell_length_b                   14.2513
_cell_length_c                   5.5900
_cell_volume                     983.222
_database_code_amcsd             0001144
_exptl_crystal_density_diffrn    4.224
_cod_data_source_file            inputs/fixed/downloads/01/01191.cif
_cod_data_source_block           01191
_cod_original_formula_sum        'Sb7 K2.4 S3 Na.58 O11.82 H5.64'
_cod_database_code               9016763
High-pressure structure of anorthite Sample: P = 1 bar
Angel, R. J.; American Mineralogist 73 (1988) 1114–1119; doi:

data_9016764
_publ_section_title
;
 High-pressure structure of anorthite
 Sample: P = 1 bar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1114
_journal_page_last               1119
_journal_volume                  73
_journal_year                    1988
_chemical_compound_source        'Val Pasmeda, Austria'
_chemical_formula_sum            'Al2 Ca O8 Si2'
_chemical_name_mineral           Anorthite
_space_group_IT_number           2
_space_group_name_Hall           '-I 1'
_space_group_name_H-M_alt        'I -1'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                93.11
_cell_angle_beta                 115.89
_cell_angle_gamma                91.28
_cell_formula_units_Z            8
_cell_length_a                   8.175
_cell_length_b                   12.873
_cell_length_c                   14.170
_cell_volume                     1337.803
_database_code_amcsd             0001194
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    2.763
_cod_data_source_file            inputs/fixed/downloads/01/01240.cif
_cod_data_source_block           01240
_cod_original_formula_sum        'Ca.5 Si Al O4'
_cod_database_code               9016764
High-pressure structure of anorthite Sample: P = 25 kbar
Angel, R. J.; American Mineralogist 73 (1988) 1114–1119; doi:

data_9016765
_publ_section_title
;
 High-pressure structure of anorthite
 Sample: P = 25 kbar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1114
_journal_page_last               1119
_journal_volume                  73
_journal_year                    1988
_chemical_compound_source        'Val Pasmeda, Austria'
_chemical_formula_sum            'Al2 Ca O8 Si2'
_chemical_name_mineral           Anorthite
_space_group_IT_number           2
_space_group_name_Hall           '-I 1'
_space_group_name_H-M_alt        'I -1'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                92.79
_cell_angle_beta                 115.77
_cell_angle_gamma                91.68
_cell_formula_units_Z            8
_cell_length_a                   8.082
_cell_length_b                   12.767
_cell_length_c                   14.032
_cell_volume                     1300.269
_database_code_amcsd             0001195
_diffrn_ambient_pressure         2.5e+06
_exptl_crystal_density_diffrn    2.842
_cod_data_source_file            inputs/fixed/downloads/01/01241.cif
_cod_data_source_block           01241
_cod_original_formula_sum        'Ca.5 Si Al O4'
_cod_database_code               9016765
Reassignment of cation site occupancies in tourmaline: Al-Mg disorder in the crystal structure of dravite
Hawthorne, F. C.; MacDonald, D. J.; Burns, P. C.; American Mineralogist 78 (1993) 265–270; doi:

data_9016766
_publ_section_title
;
 Reassignment of cation site occupancies in tourmaline: Al-Mg disorder in the
 crystal structure of dravite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              265
_journal_page_last               270
_journal_volume                  78
_journal_year                    1993
_chemical_compound_source        'Osarar, Narok District, Kenya'
_chemical_formula_sum
'Al6.078 B3 Ca0.009 Cr0.006 Fe0.612 H4 K0.014 Mg2.274 Mn0.003 Na0.814 O34 Si6 Ti0.03'
_chemical_name_mineral           Dravite
_space_group_IT_number           160
_space_group_name_Hall           'R 3 -2"'
_space_group_name_H-M_alt        'R 3 m :H'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   15.947
_cell_length_b                   15.947
_cell_length_c                   7.214
_cell_volume                     1588.784
_database_code_amcsd             0001551
_exptl_crystal_density_diffrn    3.211
_cod_data_source_file            inputs/fixed/downloads/01/01581.cif
_cod_data_source_block           01581
_cod_original_cell_volume        1588.783
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.814 K.014 Ca.009 Ti.03 Cr.006 Fe.612 Mn.003 Mg2.274 Al6.078 Si6 B3 (O34 H4)'
_cod_database_code               9016766