LMucko/crystallography-open-database huggingface dataset:
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite, spodumene, and ureyite T = 24 C pyroxene
Cameron, M.; Sueno, S.; Prewitt, C. T.; Papike, J. J.; American Mineralogist 58 (1973) 594–618; doi:

data_9000350
_publ_section_title
;High-temperature crystal chemistry of acmite, diopside, hedenbergite,
 jadeite, spodumene, and ureyite T = 24 C pyroxene
;
_journal_name_full               'American Mineralogist'
_journal_page_first              594
_journal_page_last               618
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Cr Na O6 Si2'
_chemical_name_mineral           Kosmochlor
_space_group_crystal_system      monoclinic
_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                 107.37
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.579
_cell_length_b                   8.722
_cell_length_c                   5.267
_cell_volume                     419.980
_database_code_amcsd             0000359
_diffrn_ambient_temperature      297.15
_exptl_crystal_density_diffrn    3.593
_cod_original_formula_sum        'Si2 Cr Na O6'
_cod_database_code               9000350
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite, spodumene, and ureyite T = 400 C pyroxene
Cameron, M.; Sueno, S.; Prewitt, C. T.; Papike, J. J.; American Mineralogist 58 (1973) 594–618; doi:

data_9000351
_publ_section_title
;High-temperature crystal chemistry of acmite, diopside, hedenbergite,
 jadeite, spodumene, and ureyite T = 400 C pyroxene
;
_journal_name_full               'American Mineralogist'
_journal_page_first              594
_journal_page_last               618
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Cr Na O6 Si2'
_chemical_name_mineral           Kosmochlor
_space_group_crystal_system      monoclinic
_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                 107.29
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.597
_cell_length_b                   8.751
_cell_length_c                   5.274
_cell_volume                     422.913
_database_code_amcsd             0000360
_diffrn_ambient_temperature      673.15
_exptl_crystal_density_diffrn    3.568
_cod_original_formula_sum        'Si2 Cr Na O6'
_cod_database_code               9000351
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite, spodumene, and ureyite T = 600 C pyroxene
Cameron, M.; Sueno, S.; Prewitt, C. T.; Papike, J. J.; American Mineralogist 58 (1973) 594–618; doi:

data_9000352
_publ_section_title
;High-temperature crystal chemistry of acmite, diopside, hedenbergite,
 jadeite, spodumene, and ureyite T = 600 C pyroxene
;
_journal_name_full               'American Mineralogist'
_journal_page_first              594
_journal_page_last               618
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Cr Na O6 Si2'
_chemical_name_mineral           Kosmochlor
_space_group_crystal_system      monoclinic
_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                 107.25
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.612
_cell_length_b                   8.77
_cell_length_c                   5.279
_cell_volume                     424.989
_database_code_amcsd             0000361
_diffrn_ambient_temperature      873.15
_exptl_crystal_density_diffrn    3.550
_cod_original_formula_sum        'Si2 Cr Na O6'
_cod_database_code               9000352
An orthopyroxene structure up to 850 C T = 20 C
Smyth, J. R.; American Mineralogist 58 (1973) 636–648; doi:

data_9000353
_publ_section_title
;
 An orthopyroxene structure up to 850 C
 T = 20 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              636
_journal_page_last               648
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Ca0.032 Fe1.331 Mg0.636 O6 Si2'
_chemical_name_mineral           Ferrosilite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.337
_cell_length_b                   8.971
_cell_length_c                   5.232
_cell_formula_units_Z            8
_cell_volume                     860.670
_database_code_amcsd             0000362
_diffrn_ambient_temperature      293.15
_exptl_crystal_density_diffrn    3.754
_cod_original_formula_sum        'Si2 Mg.636 Fe1.331 Ca.032 O6'
_cod_database_code               9000353
An orthopyroxene structure up to 850 C T = 175 C note temperature factors for O1b appear incorrect
Smyth, J. R.; American Mineralogist 58 (1973) 636–648; doi:

data_9000354
_publ_section_title
;
 An orthopyroxene structure up to 850 C
 T = 175 C
 note temperature factors for O1b appear incorrect
;
_journal_name_full               'American Mineralogist'
_journal_page_first              636
_journal_page_last               648
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Ca0.032 Fe1.332 Mg0.635 O6 Si2'
_chemical_name_mineral           Ferrosilite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.364
_cell_length_b                   8.988
_cell_length_c                   5.238
_cell_formula_units_Z            8
_cell_volume                     864.561
_database_code_amcsd             0000363
_diffrn_ambient_temperature      448.15
_exptl_crystal_density_diffrn    3.738
_cod_original_formula_sum        'Mg.635 Fe1.332 Ca.032 Si2 O6'
_cod_database_code               9000354
An orthopyroxene structure up to 850 C T = 280 C
Smyth, J. R.; American Mineralogist 58 (1973) 636–648; doi:

data_9000355
_publ_section_title
;
 An orthopyroxene structure up to 850 C
 T = 280 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              636
_journal_page_last               648
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Ca0.032 Fe1.331 Mg0.636 O6 Si2'
_chemical_name_mineral           Ferrosilite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.371
_cell_length_b                   9
_cell_length_c                   5.242
_cell_formula_units_Z            8
_cell_volume                     866.707
_database_code_amcsd             0000364
_diffrn_ambient_temperature      553.15
_exptl_crystal_density_diffrn    3.728
_cod_original_formula_sum        'Si2 Mg.636 Fe1.331 Ca.032 O6'
_cod_database_code               9000355
An orthopyroxene structure up to 850 C T = 500 C
Smyth, J. R.; American Mineralogist 58 (1973) 636–648; doi:

data_9000356
_publ_section_title
;
 An orthopyroxene structure up to 850 C
 T = 500 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              636
_journal_page_last               648
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Ca0.032 Fe1.332 Mg0.635 O6 Si2'
_chemical_name_mineral           Ferrosilite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.429
_cell_length_b                   9.028
_cell_length_c                   5.26
_cell_formula_units_Z            8
_cell_volume                     875.143
_database_code_amcsd             0000365
_diffrn_ambient_temperature      773.15
_exptl_crystal_density_diffrn    3.693
_cod_original_formula_sum        'Si2 Mg.635 Fe1.332 Ca.032 O6'
_cod_database_code               9000356
An orthopyroxene structure up to 850 C T = 700 C
Smyth, J. R.; American Mineralogist 58 (1973) 636–648; doi:

data_9000357
_publ_section_title
;
 An orthopyroxene structure up to 850 C
 T = 700 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              636
_journal_page_last               648
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Ca0.032 Fe1.332 Mg0.636 O6 Si2'
_chemical_name_mineral           Ferrosilite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.483
_cell_length_b                   9.053
_cell_length_c                   5.28
_cell_formula_units_Z            8
_cell_volume                     883.484
_database_code_amcsd             0000366
_diffrn_ambient_temperature      973.15
_exptl_crystal_density_diffrn    3.658
_cod_original_formula_sum        'Si2 Mg.636 Fe1.332 Ca.032 O6'
_cod_database_code               9000357
An orthopyroxene structure up to 850 C T = 850 C
Smyth, J. R.; American Mineralogist 58 (1973) 636–648; doi:

data_9000358
_publ_section_title
;
 An orthopyroxene structure up to 850 C
 T = 850 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              636
_journal_page_last               648
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Ca0.032 Fe0.65 Mg1.318 O6 Si2'
_chemical_name_mineral           Ferrosilite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   18.546
_cell_length_b                   9.081
_cell_length_c                   5.298
_cell_formula_units_Z            8
_cell_volume                     892.269
_database_code_amcsd             0000367
_diffrn_ambient_temperature      1123.15
_exptl_crystal_density_diffrn    3.302
_cod_original_formula_sum        'Mg1.318 Fe.65 Ca.032 Si2 O6'
_cod_database_code               9000358
The high temperature crystal chemistry of tremolite T = 400 C
Sueno, S.; Cameron, M.; Papike, J. J.; Prewitt, C. T.; American Mineralogist 58 (1973) 649–664; doi:

data_9000359
_publ_section_title
;
 The high temperature crystal chemistry of tremolite
 T = 400 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              649
_journal_page_last               664
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Ca2 H2 Mg5 O24 Si8'
_chemical_name_mineral           Tremolite
_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                 104.57
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.86
_cell_length_b                   18.118
_cell_length_c                   5.285
_cell_volume                     913.769
_database_code_amcsd             0000368
_diffrn_ambient_temperature      673.15
_exptl_crystal_density_diffrn    2.953
_cod_original_cell_volume        913.768
_cod_original_formula_sum        'Si8 Mg5 Ca2 O24 H2'
_cod_database_code               9000359
The high temperature crystal chemistry of tremolite T = 700 C
Sueno, S.; Cameron, M.; Papike, J. J.; Prewitt, C. T.; American Mineralogist 58 (1973) 649–664; doi:

data_9000360
_publ_section_title
;
 The high temperature crystal chemistry of tremolite
 T = 700 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              649
_journal_page_last               664
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Ca2 H2 Mg5 O24 Si8'
_chemical_name_mineral           Tremolite
_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                 104.46
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.898
_cell_length_b                   18.19
_cell_length_c                   5.296
_cell_volume                     923.311
_database_code_amcsd             0000369
_diffrn_ambient_temperature      973.15
_exptl_crystal_density_diffrn    2.922
_cod_original_formula_sum        'Si8 Mg5 Ca2 O24 H2'
_cod_database_code               9000360
The anorthite crystal structure at 410 and 830 C T = 410 C
Foit, F. F.; Peacor, D. R.; American Mineralogist 58 (1973) 665–675; doi:

data_9000361
_publ_section_title
;
 The anorthite crystal structure at 410 and 830 C
 T = 410 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              665
_journal_page_last               675
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Al2 Ca O8 Si2'
_chemical_name_mineral           Anorthite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.98
_cell_angle_beta                 115.82
_cell_angle_gamma                91.15
_cell_formula_units_Z            8
_cell_length_a                   8.194
_cell_length_b                   12.897
_cell_length_c                   14.190
_cell_volume                     1346.516
_database_code_amcsd             0000370
_diffrn_ambient_temperature      683.15
_exptl_crystal_density_diffrn    2.745
_cod_original_formula_sum        'Ca Si2 Al2 O8'
_cod_database_code               9000361
The anorthite crystal structure at 410 and 830 C T = 830 C
Foit, F. F.; Peacor, D. R.; American Mineralogist 58 (1973) 665–675; doi:

data_9000362
_publ_section_title
;
 The anorthite crystal structure at 410 and 830 C
 T = 830 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              665
_journal_page_last               675
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Al2 Ca O8 Si2'
_chemical_name_mineral           Anorthite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.75
_cell_angle_beta                 115.80
_cell_angle_gamma                91.02
_cell_formula_units_Z            8
_cell_length_a                   8.223
_cell_length_b                   12.915
_cell_length_c                   14.204
_cell_volume                     1355.280
_database_code_amcsd             0000371
_diffrn_ambient_temperature      1103.15
_exptl_crystal_density_diffrn    2.727
_cod_original_formula_sum        'Ca Si2 Al2 O8'
_cod_database_code               9000362
High temperature, single-crystal X-Ray study of natrolite T = 25 C
Peacor, D. R.; American Mineralogist 58 (1973) 676–680; doi:

data_9000363
_publ_section_title
;
 High temperature, single-crystal X-Ray study of natrolite
 T = 25 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              676
_journal_page_last               680
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Al2 H4 Na2 O12 Si3'
_chemical_name_mineral           Natrolite
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.43
_cell_length_b                   18.71
_cell_length_c                   6.52
_cell_volume                     2248.261
_database_code_amcsd             0000372
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    2.247
_cod_original_formula_sum        'Si3 Al2 Na2 O12 H4'
_cod_database_code               9000363
High temperature, single-crystal X-Ray study of natrolite T = 88 C
Peacor, D. R.; American Mineralogist 58 (1973) 676–680; doi:

data_9000364
_publ_section_title
;
 High temperature, single-crystal X-Ray study of natrolite
 T = 88 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              676
_journal_page_last               680
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Al2 H4 Na2 O12 Si3'
_chemical_name_mineral           Natrolite
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.43
_cell_length_b                   18.71
_cell_length_c                   6.52
_cell_volume                     2248.261
_database_code_amcsd             0000373
_diffrn_ambient_temperature      361.15
_exptl_crystal_density_diffrn    2.247
_cod_original_formula_sum        'Si3 Al2 Na2 O12 H4'
_cod_database_code               9000364
High temperature, single-crystal X-Ray study of natrolite T = 146 C
Peacor, D. R.; American Mineralogist 58 (1973) 676–680; doi:

data_9000365
_publ_section_title
;
 High temperature, single-crystal X-Ray study of natrolite
 T = 146 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              676
_journal_page_last               680
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Al2 H4 Na2 O12 Si3'
_chemical_name_mineral           Natrolite
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.43
_cell_length_b                   18.71
_cell_length_c                   6.52
_cell_volume                     2248.261
_database_code_amcsd             0000374
_diffrn_ambient_temperature      419.15
_exptl_crystal_density_diffrn    2.247
_cod_original_formula_sum        'Si3 Al2 Na2 O12 H4'
_cod_database_code               9000365
High temperature, single-crystal X-Ray study of natrolite T = 198 C
Peacor, D. R.; American Mineralogist 58 (1973) 676–680; doi:

data_9000366
_publ_section_title
;
 High temperature, single-crystal X-Ray study of natrolite
 T = 198 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              676
_journal_page_last               680
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Al2 H4 Na2 O12 Si3'
_chemical_name_mineral           Natrolite
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.43
_cell_length_b                   18.71
_cell_length_c                   6.52
_cell_volume                     2248.261
_database_code_amcsd             0000375
_diffrn_ambient_temperature      471.15
_exptl_crystal_density_diffrn    2.247
_cod_original_formula_sum        'Si3 Al2 Na2 O12 H4'
_cod_database_code               9000366
The crystal structure of beta eucryptite as a function of temperature T = 23C
Pillars, W. W.; Peacor, D. R.; American Mineralogist 58 (1973) 681–690; doi:

data_9000367
_publ_section_title
;
 The crystal structure of beta eucryptite as a function of temperature
 T = 23C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              681
_journal_page_last               690
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Al Li O4 Si'
_chemical_name_mineral           Eucryptite
_space_group_IT_number           181
_symmetry_space_group_name_Hall  'P 64 2 (0 0 2)'
_symmetry_space_group_name_H-M   'P 64 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.497
_cell_length_b                   10.497
_cell_length_c                   11.200
_cell_formula_units_Z            12
_cell_volume                     1068.757
_database_code_amcsd             0000376
_diffrn_ambient_temperature      296.15
_exptl_crystal_density_diffrn    2.349
_cod_original_formula_sum        'Si Al Li O4'
_cod_database_code               9000367
The crystal structure of beta eucryptite as a function of temperature T = 200 C
Pillars, W. W.; Peacor, D. R.; American Mineralogist 58 (1973) 681–690; doi:

data_9000368
_publ_section_title
;
 The crystal structure of beta eucryptite as a function of temperature
 T = 200 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              681
_journal_page_last               690
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Al Li O4 Si'
_chemical_name_mineral           Eucryptite
_space_group_IT_number           181
_symmetry_space_group_name_Hall  'P 64 2 (0 0 2)'
_symmetry_space_group_name_H-M   'P 64 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.499
_cell_length_b                   10.499
_cell_length_c                   11.197
_cell_formula_units_Z            12
_cell_volume                     1068.878
_database_code_amcsd             0000377
_diffrn_ambient_temperature      473.15
_exptl_crystal_density_diffrn    2.349
_cod_original_formula_sum        'Si Al Li O4'
_cod_database_code               9000368
The crystal structure of beta eucryptite as a function of temperature T = 335 C
Pillars, W. W.; Peacor, D. R.; American Mineralogist 58 (1973) 681–690; doi:

data_9000369
_publ_section_title
;
 The crystal structure of beta eucryptite as a function of temperature
 T = 335 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              681
_journal_page_last               690
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Al Li O4 Si'
_chemical_name_mineral           Eucryptite
_space_group_IT_number           181
_symmetry_space_group_name_Hall  'P 64 2 (0 0 2)'
_symmetry_space_group_name_H-M   'P 64 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   10.500
_cell_length_b                   10.500
_cell_length_c                   11.194
_cell_formula_units_Z            12
_cell_volume                     1068.795
_database_code_amcsd             0000378
_diffrn_ambient_temperature      608.15
_exptl_crystal_density_diffrn    2.349
_cod_original_formula_sum        'Si Al Li O4'
_cod_database_code               9000369