LMucko/crystallography-open-database huggingface dataset:
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite, spodumene, and ureyite T = 700 C pyroxene
Cameron, M.; Sueno, S.; Prewitt, C. T.; Papike, J. J.; American Mineralogist 58 (1973) 594–618; doi:

data_9000333
_publ_section_title
;High-temperature crystal chemistry of acmite, diopside, hedenbergite,
 jadeite, spodumene, and ureyite T = 700 C pyroxene
;
_journal_name_full               'American Mineralogist'
_journal_page_first              594
_journal_page_last               618
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Ca Mg O6 Si2'
_chemical_name_mineral           Diopside
_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                 106
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.799
_cell_length_b                   9.029
_cell_length_c                   5.274
_cell_volume                     448.542
_database_code_amcsd             0000342
_diffrn_ambient_temperature      973.15
_exptl_crystal_density_diffrn    3.207
_cod_original_formula_sum        'Si2 Mg Ca O6'
_cod_database_code               9000333
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite, spodumene, and ureyite T = 850 C pyroxene
Cameron, M.; Sueno, S.; Prewitt, C. T.; Papike, J. J.; American Mineralogist 58 (1973) 594–618; doi:

data_9000334
_publ_section_title
;High-temperature crystal chemistry of acmite, diopside, hedenbergite,
 jadeite, spodumene, and ureyite T = 850 C pyroxene
;
_journal_name_full               'American Mineralogist'
_journal_page_first              594
_journal_page_last               618
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Ca Mg O6 Si2'
_chemical_name_mineral           Diopside
_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                 106
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.806
_cell_length_b                   9.05
_cell_length_c                   5.28
_cell_volume                     450.418
_database_code_amcsd             0000343
_diffrn_ambient_temperature      1123.15
_exptl_crystal_density_diffrn    3.193
_cod_original_formula_sum        'Si2 Mg Ca O6'
_cod_database_code               9000334
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite, spodumene, and ureyite T = 1000 C pyroxene
Cameron, M.; Sueno, S.; Prewitt, C. T.; Papike, J. J.; American Mineralogist 58 (1973) 594–618; doi:

data_9000335
_publ_section_title
;High-temperature crystal chemistry of acmite, diopside, hedenbergite,
 jadeite, spodumene, and ureyite T = 1000 C pyroxene
;
_journal_name_full               'American Mineralogist'
_journal_page_first              594
_journal_page_last               618
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Ca Mg O6 Si2'
_chemical_name_mineral           Diopside
_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                 105.98
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.822
_cell_length_b                   9.081
_cell_length_c                   5.285
_cell_volume                     453.173
_database_code_amcsd             0000344
_diffrn_ambient_temperature      1273.15
_exptl_crystal_density_diffrn    3.174
_cod_original_formula_sum        'Si2 Mg Ca O6'
_cod_database_code               9000335
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_9000336
_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            'Ca Fe O6 Si2'
_chemical_name_mineral           Hedenbergite
_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                 104.74
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.845
_cell_length_b                   9.024
_cell_length_c                   5.245
_cell_volume                     450.638
_database_code_amcsd             0000345
_diffrn_ambient_temperature      297.15
_exptl_crystal_density_diffrn    3.657
_cod_original_formula_sum        'Si2 Fe Ca O6'
_cod_database_code               9000336
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_9000337
_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            'Ca Fe O6 Si2'
_chemical_name_mineral           Hedenbergite
_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                 105.01
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.87
_cell_length_b                   9.077
_cell_length_c                   5.258
_cell_volume                     454.992
_database_code_amcsd             0000346
_diffrn_ambient_temperature      673.15
_exptl_crystal_density_diffrn    3.622
_cod_original_formula_sum        'Si2 Fe Ca O6'
_cod_database_code               9000337
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_9000338
_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            'Ca Fe O6 Si2'
_chemical_name_mineral           Hedenbergite
_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                 105.11
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.884
_cell_length_b                   9.11
_cell_length_c                   5.264
_cell_volume                     457.601
_database_code_amcsd             0000347
_diffrn_ambient_temperature      873.15
_exptl_crystal_density_diffrn    3.601
_cod_original_cell_volume        457.600
_cod_original_formula_sum        'Si2 Fe Ca O6'
_cod_database_code               9000338
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite, spodumene, and ureyite T = 800 C pyroxene
Cameron, M.; Sueno, S.; Prewitt, C. T.; Papike, J. J.; American Mineralogist 58 (1973) 594–618; doi:

data_9000339
_publ_section_title
;High-temperature crystal chemistry of acmite, diopside, hedenbergite,
 jadeite, spodumene, and ureyite T = 800 C pyroxene
;
_journal_name_full               'American Mineralogist'
_journal_page_first              594
_journal_page_last               618
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Ca Fe O6 Si2'
_chemical_name_mineral           Hedenbergite
_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                 105.17
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.897
_cell_length_b                   9.138
_cell_length_c                   5.269
_cell_volume                     459.917
_database_code_amcsd             0000348
_diffrn_ambient_temperature      1073.15
_exptl_crystal_density_diffrn    3.583
_cod_original_formula_sum        'Si2 Fe Ca O6'
_cod_database_code               9000339
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite, spodumene, and ureyite T = 900 C pyroxene
Cameron, M.; Sueno, S.; Prewitt, C. T.; Papike, J. J.; American Mineralogist 58 (1973) 594–618; doi:

data_9000340
_publ_section_title
;High-temperature crystal chemistry of acmite, diopside, hedenbergite,
 jadeite, spodumene, and ureyite T = 900 C pyroxene
;
_journal_name_full               'American Mineralogist'
_journal_page_first              594
_journal_page_last               618
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Ca Fe O6 Si2'
_chemical_name_mineral           Hedenbergite
_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                 105.22
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.906
_cell_length_b                   9.164
_cell_length_c                   5.273
_cell_volume                     461.886
_database_code_amcsd             0000349
_diffrn_ambient_temperature      1173.15
_exptl_crystal_density_diffrn    3.568
_cod_original_formula_sum        'Si2 Fe Ca O6'
_cod_database_code               9000340
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite, spodumene, and ureyite T = 1000 C pyroxene
Cameron, M.; Sueno, S.; Prewitt, C. T.; Papike, J. J.; American Mineralogist 58 (1973) 594–618; doi:

data_9000341
_publ_section_title
;High-temperature crystal chemistry of acmite, diopside, hedenbergite,
 jadeite, spodumene, and ureyite T = 1000 C pyroxene
;
_journal_name_full               'American Mineralogist'
_journal_page_first              594
_journal_page_last               618
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Ca Fe O6 Si2'
_chemical_name_mineral           Hedenbergite
_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                 105.28
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.916
_cell_length_b                   9.179
_cell_length_c                   5.276
_cell_volume                     463.240
_database_code_amcsd             0000350
_diffrn_ambient_temperature      1273.15
_exptl_crystal_density_diffrn    3.557
_cod_original_formula_sum        'Si2 Fe Ca O6'
_cod_database_code               9000341
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_9000342
_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_analytical
;
(Na.98 Ca.02) (Al.99 Mg.01) (Si1.99 Fe.01) O6
;
_chemical_formula_structural     'Na Al (Si2 O6)'
_chemical_formula_sum            'Al Na O6 Si2'
_chemical_name_mineral           Jadeite
_chemical_name_systematic        'Sodium aluminium catena-disilicate'
_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                 107.56(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.423(1)
_cell_length_b                   8.564(1)
_cell_length_c                   5.223(1)
_cell_volume                     401.848
_database_code_amcsd             0000351
_diffrn_ambient_temperature      297.15
_exptl_crystal_density_diffrn    3.341
_refine_ls_R_factor_all          0.036
_cod_original_formula_sum        'Si2 Al Na O6'
_cod_database_code               9000342
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_9000343
_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            'Al Na O6 Si2'
_chemical_name_mineral           Jadeite
_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                 107.57
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.45
_cell_length_b                   8.594
_cell_length_c                   5.233
_cell_volume                     405.163
_database_code_amcsd             0000352
_diffrn_ambient_temperature      673.15
_exptl_crystal_density_diffrn    3.314
_cod_original_formula_sum        'Si2 Al Na O6'
_cod_database_code               9000343
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_9000344
_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            'Al Na O6 Si2'
_chemical_name_mineral           Jadeite
_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                 107.57
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.469
_cell_length_b                   8.614
_cell_length_c                   5.24
_cell_volume                     407.467
_database_code_amcsd             0000353
_diffrn_ambient_temperature      873.15
_exptl_crystal_density_diffrn    3.295
_cod_original_formula_sum        'Si2 Al Na O6'
_cod_database_code               9000344
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite, spodumene, and ureyite T = 800 C pyroxene
Cameron, M.; Sueno, S.; Prewitt, C. T.; Papike, J. J.; American Mineralogist 58 (1973) 594–618; doi:

data_9000345
_publ_section_title
;High-temperature crystal chemistry of acmite, diopside, hedenbergite,
 jadeite, spodumene, and ureyite T = 800 C pyroxene
;
_journal_name_full               'American Mineralogist'
_journal_page_first              594
_journal_page_last               618
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Al Na O6 Si2'
_chemical_name_mineral           Jadeite
_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                 107.59
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.483
_cell_length_b                   8.63
_cell_length_c                   5.249
_cell_volume                     409.484
_database_code_amcsd             0000354
_diffrn_ambient_temperature      1073.15
_exptl_crystal_density_diffrn    3.279
_cod_original_formula_sum        'Si2 Al Na O6'
_cod_database_code               9000345
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_9000346
_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            'Al Li O6 Si2'
_chemical_name_mineral           Spodumene
_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                 110.15
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.463
_cell_length_b                   8.392
_cell_length_c                   5.218
_cell_volume                     389.017
_database_code_amcsd             0000355
_diffrn_ambient_temperature      297.15
_exptl_crystal_density_diffrn    3.177
_cod_original_formula_sum        'Si2 Al Li O6'
_cod_database_code               9000346
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite, spodumene, and ureyite T = 300 C pyroxene
Cameron, M.; Sueno, S.; Prewitt, C. T.; Papike, J. J.; American Mineralogist 58 (1973) 594–618; doi:

data_9000347
_publ_section_title
;High-temperature crystal chemistry of acmite, diopside, hedenbergite,
 jadeite, spodumene, and ureyite T = 300 C pyroxene
;
_journal_name_full               'American Mineralogist'
_journal_page_first              594
_journal_page_last               618
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Al Li O6 Si2'
_chemical_name_mineral           Spodumene
_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                 110.05
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.468
_cell_length_b                   8.412
_cell_length_c                   5.224
_cell_volume                     390.848
_database_code_amcsd             0000356
_diffrn_ambient_temperature      573.15
_exptl_crystal_density_diffrn    3.162
_cod_original_formula_sum        'Si2 Al Li O6'
_cod_database_code               9000347
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite, spodumene, and ureyite T = 460 C pyroxene
Cameron, M.; Sueno, S.; Prewitt, C. T.; Papike, J. J.; American Mineralogist 58 (1973) 594–618; doi:

data_9000348
_publ_section_title
;High-temperature crystal chemistry of acmite, diopside, hedenbergite,
 jadeite, spodumene, and ureyite T = 460 C pyroxene
;
_journal_name_full               'American Mineralogist'
_journal_page_first              594
_journal_page_last               618
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Al Li O6 Si2'
_chemical_name_mineral           Spodumene
_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                 109.99
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.473
_cell_length_b                   8.43
_cell_length_c                   5.229
_cell_volume                     392.416
_database_code_amcsd             0000357
_diffrn_ambient_temperature      733.15
_exptl_crystal_density_diffrn    3.150
_cod_original_formula_sum        'Si2 Al Li O6'
_cod_database_code               9000348
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite, spodumene, and ureyite T = 760 C pyroxene
Cameron, M.; Sueno, S.; Prewitt, C. T.; Papike, J. J.; American Mineralogist 58 (1973) 594–618; doi:

data_9000349
_publ_section_title
;High-temperature crystal chemistry of acmite, diopside, hedenbergite,
 jadeite, spodumene, and ureyite T = 760 C pyroxene
;
_journal_name_full               'American Mineralogist'
_journal_page_first              594
_journal_page_last               618
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Al Li O6 Si2'
_chemical_name_mineral           Spodumene
_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                 109.88
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.489
_cell_length_b                   8.46
_cell_length_c                   5.236
_cell_volume                     395.281
_database_code_amcsd             0000358
_diffrn_ambient_temperature      1033.15
_exptl_crystal_density_diffrn    3.127
_cod_original_formula_sum        'Si2 Al Li O6'
_cod_database_code               9000349