LMucko/crystallography-open-database huggingface dataset:
The crystal structures of grossular and spessartine between 100 and 600 K and the crystal chemistry of grossular-spessartine solid solutions Sample: T = 498 K
Rodehorst, U.; Geiger, C. A.; Armbruster, T.; American Mineralogist 87 (2002) 542–549; doi:

data_9002686
_publ_section_title
;
 The crystal structures of grossular and spessartine between 100 and 600 K
 and the crystal chemistry of grossular-spessartine solid solutions
 Sample: T = 498 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              542
_journal_page_last               549
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Ca3Al2(SiO4)3
_chemical_formula_sum            'Al2 Ca3 O12 Si3'
_chemical_name_mineral           Grossular
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.867
_cell_length_b                   11.867
_cell_length_c                   11.867
_cell_formula_units_Z            8
_cell_volume                     1671.178
_database_code_amcsd             0002775
_diffrn_ambient_temperature      498
_exptl_crystal_density_diffrn    3.581
_cod_original_formula_sum        'O12 Ca3 Al2 Si3'
_cod_database_code               9002686
The crystal structures of grossular and spessartine between 100 and 600 K and the crystal chemistry of grossular-spessartine solid solutions Sample: T = 103 K
Rodehorst, U.; Geiger, C. A.; Armbruster, T.; American Mineralogist 87 (2002) 542–549; doi:

data_9002687
_publ_section_title
;
 The crystal structures of grossular and spessartine between 100 and 600 K
 and the crystal chemistry of grossular-spessartine solid solutions
 Sample: T = 103 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              542
_journal_page_last               549
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Mn3Al2(SiO4)3
_chemical_formula_sum            'Al2 Mn3 O12 Si3'
_chemical_name_mineral           Spessartine
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.604
_cell_length_b                   11.604
_cell_length_c                   11.604
_cell_formula_units_Z            8
_cell_volume                     1562.511
_database_code_amcsd             0002776
_diffrn_ambient_temperature      103
_exptl_crystal_density_diffrn    4.209
_cod_original_formula_sum        'O12 Mn3 Al2 Si3'
_cod_database_code               9002687
The crystal structures of grossular and spessartine between 100 and 600 K and the crystal chemistry of grossular-spessartine solid solutions Sample: T = 156 K
Rodehorst, U.; Geiger, C. A.; Armbruster, T.; American Mineralogist 87 (2002) 542–549; doi:

data_9002688
_publ_section_title
;
 The crystal structures of grossular and spessartine between 100 and 600 K
 and the crystal chemistry of grossular-spessartine solid solutions
 Sample: T = 156 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              542
_journal_page_last               549
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Mn3Al2(SiO4)3
_chemical_formula_sum            'Al2 Mn3 O12 Si3'
_chemical_name_mineral           Spessartine
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.608
_cell_length_b                   11.608
_cell_length_c                   11.608
_cell_formula_units_Z            8
_cell_volume                     1564.128
_database_code_amcsd             0002777
_diffrn_ambient_temperature      156
_exptl_crystal_density_diffrn    4.204
_cod_original_formula_sum        'O12 Mn3 Al2 Si3'
_cod_database_code               9002688
The crystal structures of grossular and spessartine between 100 and 600 K and the crystal chemistry of grossular-spessartine solid solutions Sample: T = 205 K
Rodehorst, U.; Geiger, C. A.; Armbruster, T.; American Mineralogist 87 (2002) 542–549; doi:

data_9002689
_publ_section_title
;
 The crystal structures of grossular and spessartine between 100 and 600 K
 and the crystal chemistry of grossular-spessartine solid solutions
 Sample: T = 205 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              542
_journal_page_last               549
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Mn3Al2(SiO4)3
_chemical_formula_sum            'Al2 Mn3 O12 Si3'
_chemical_name_mineral           Spessartine
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.610
_cell_length_b                   11.610
_cell_length_c                   11.610
_cell_formula_units_Z            8
_cell_volume                     1564.936
_database_code_amcsd             0002778
_diffrn_ambient_temperature      205
_exptl_crystal_density_diffrn    4.202
_cod_original_formula_sum        'O12 Mn3 Al2 Si3'
_cod_database_code               9002689
The crystal structures of grossular and spessartine between 100 and 600 K and the crystal chemistry of grossular-spessartine solid solutions Sample: T = 261 K
Rodehorst, U.; Geiger, C. A.; Armbruster, T.; American Mineralogist 87 (2002) 542–549; doi:

data_9002690
_publ_section_title
;
 The crystal structures of grossular and spessartine between 100 and 600 K
 and the crystal chemistry of grossular-spessartine solid solutions
 Sample: T = 261 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              542
_journal_page_last               549
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Mn3Al2(SiO4)3
_chemical_formula_sum            'Al2 Mn3 O12 Si3'
_chemical_name_mineral           Spessartine
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.615
_cell_length_b                   11.615
_cell_length_c                   11.615
_cell_formula_units_Z            8
_cell_volume                     1566.959
_database_code_amcsd             0002779
_diffrn_ambient_temperature      261
_exptl_crystal_density_diffrn    4.197
_cod_original_formula_sum        'O12 Mn3 Al2 Si3'
_cod_database_code               9002690
The crystal structures of grossular and spessartine between 100 and 600 K and the crystal chemistry of grossular-spessartine solid solutions Sample: T = 273 K
Rodehorst, U.; Geiger, C. A.; Armbruster, T.; American Mineralogist 87 (2002) 542–549; doi:

data_9002691
_publ_section_title
;
 The crystal structures of grossular and spessartine between 100 and 600 K
 and the crystal chemistry of grossular-spessartine solid solutions
 Sample: T = 273 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              542
_journal_page_last               549
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Mn3Al2(SiO4)3
_chemical_formula_sum            'Al2 Mn3 O12 Si3'
_chemical_name_mineral           Spessartine
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.615
_cell_length_b                   11.615
_cell_length_c                   11.615
_cell_formula_units_Z            8
_cell_volume                     1566.959
_database_code_amcsd             0002780
_diffrn_ambient_temperature      273
_exptl_crystal_density_diffrn    4.197
_cod_original_formula_sum        'O12 Mn3 Al2 Si3'
_cod_database_code               9002691
The crystal structures of grossular and spessartine between 100 and 600 K and the crystal chemistry of grossular-spessartine solid solutions Sample: T = 298 K
Rodehorst, U.; Geiger, C. A.; Armbruster, T.; American Mineralogist 87 (2002) 542–549; doi:

data_9002692
_publ_section_title
;
 The crystal structures of grossular and spessartine between 100 and 600 K
 and the crystal chemistry of grossular-spessartine solid solutions
 Sample: T = 298 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              542
_journal_page_last               549
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Mn3Al2(SiO4)3
_chemical_formula_sum            'Al2 Mn3 O12 Si3'
_chemical_name_mineral           Spessartine
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.615
_cell_length_b                   11.615
_cell_length_c                   11.615
_cell_formula_units_Z            8
_cell_volume                     1566.959
_database_code_amcsd             0002781
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    4.197
_cod_original_formula_sum        'O12 Mn3 Al2 Si3'
_cod_database_code               9002692
The crystal structures of grossular and spessartine between 100 and 600 K and the crystal chemistry of grossular-spessartine solid solutions Sample: T = 348 K
Rodehorst, U.; Geiger, C. A.; Armbruster, T.; American Mineralogist 87 (2002) 542–549; doi:

data_9002693
_publ_section_title
;
 The crystal structures of grossular and spessartine between 100 and 600 K
 and the crystal chemistry of grossular-spessartine solid solutions
 Sample: T = 348 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              542
_journal_page_last               549
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Mn3Al2(SiO4)3
_chemical_formula_sum            'Al2 Mn3 O12 Si3'
_chemical_name_mineral           Spessartine
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.621
_cell_length_b                   11.621
_cell_length_c                   11.621
_cell_formula_units_Z            8
_cell_volume                     1569.389
_database_code_amcsd             0002782
_diffrn_ambient_temperature      348
_exptl_crystal_density_diffrn    4.190
_cod_original_formula_sum        'O12 Mn3 Al2 Si3'
_cod_database_code               9002693
The crystal structures of grossular and spessartine between 100 and 600 K and the crystal chemistry of grossular-spessartine solid solutions Sample: T = 398 K
Rodehorst, U.; Geiger, C. A.; Armbruster, T.; American Mineralogist 87 (2002) 542–549; doi:

data_9002694
_publ_section_title
;
 The crystal structures of grossular and spessartine between 100 and 600 K
 and the crystal chemistry of grossular-spessartine solid solutions
 Sample: T = 398 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              542
_journal_page_last               549
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Mn3Al2(SiO4)3
_chemical_formula_sum            'Al2 Mn3 O12 Si3'
_chemical_name_mineral           Spessartine
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.622
_cell_length_b                   11.622
_cell_length_c                   11.622
_cell_formula_units_Z            8
_cell_volume                     1569.794
_database_code_amcsd             0002783
_diffrn_ambient_temperature      398
_exptl_crystal_density_diffrn    4.189
_cod_original_formula_sum        'O12 Mn3 Al2 Si3'
_cod_database_code               9002694
The crystal structures of grossular and spessartine between 100 and 600 K and the crystal chemistry of grossular-spessartine solid solutions Sample: T = 448 K
Rodehorst, U.; Geiger, C. A.; Armbruster, T.; American Mineralogist 87 (2002) 542–549; doi:

data_9002695
_publ_section_title
;
 The crystal structures of grossular and spessartine between 100 and 600 K
 and the crystal chemistry of grossular-spessartine solid solutions
 Sample: T = 448 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              542
_journal_page_last               549
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Mn3Al2(SiO4)3
_chemical_formula_sum            'Al2 Mn3 O12 Si3'
_chemical_name_mineral           Spessartine
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.624
_cell_length_b                   11.624
_cell_length_c                   11.624
_cell_formula_units_Z            8
_cell_volume                     1570.604
_database_code_amcsd             0002784
_diffrn_ambient_temperature      448
_exptl_crystal_density_diffrn    4.187
_cod_original_formula_sum        'O12 Mn3 Al2 Si3'
_cod_database_code               9002695
The crystal structures of grossular and spessartine between 100 and 600 K and the crystal chemistry of grossular-spessartine solid solutions Sample: T = 498 K
Rodehorst, U.; Geiger, C. A.; Armbruster, T.; American Mineralogist 87 (2002) 542–549; doi:

data_9002696
_publ_section_title
;
 The crystal structures of grossular and spessartine between 100 and 600 K
 and the crystal chemistry of grossular-spessartine solid solutions
 Sample: T = 498 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              542
_journal_page_last               549
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Mn3Al2(SiO4)3
_chemical_formula_sum            'Al2 Mn3 O12 Si3'
_chemical_name_mineral           Spessartine
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.627
_cell_length_b                   11.627
_cell_length_c                   11.627
_cell_formula_units_Z            8
_cell_volume                     1571.821
_database_code_amcsd             0002785
_diffrn_ambient_temperature      498
_exptl_crystal_density_diffrn    4.184
_cod_original_formula_sum        'O12 Mn3 Al2 Si3'
_cod_database_code               9002696
The crystal structures of grossular and spessartine between 100 and 600 K and the crystal chemistry of grossular-spessartine solid solutions Sample: T = 548 K
Rodehorst, U.; Geiger, C. A.; Armbruster, T.; American Mineralogist 87 (2002) 542–549; doi:

data_9002697
_publ_section_title
;
 The crystal structures of grossular and spessartine between 100 and 600 K
 and the crystal chemistry of grossular-spessartine solid solutions
 Sample: T = 548 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              542
_journal_page_last               549
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Mn3Al2(SiO4)3
_chemical_formula_sum            'Al2 Mn3 O12 Si3'
_chemical_name_mineral           Spessartine
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.632
_cell_length_b                   11.632
_cell_length_c                   11.632
_cell_formula_units_Z            8
_cell_volume                     1573.849
_database_code_amcsd             0002786
_diffrn_ambient_temperature      548
_exptl_crystal_density_diffrn    4.178
_cod_original_formula_sum        'O12 Mn3 Al2 Si3'
_cod_database_code               9002697
The crystal structures of grossular and spessartine between 100 and 600 K and the crystal chemistry of grossular-spessartine solid solutions Sample: T = 598 K
Rodehorst, U.; Geiger, C. A.; Armbruster, T.; American Mineralogist 87 (2002) 542–549; doi:

data_9002698
_publ_section_title
;
 The crystal structures of grossular and spessartine between 100 and 600 K
 and the crystal chemistry of grossular-spessartine solid solutions
 Sample: T = 598 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              542
_journal_page_last               549
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Mn3Al2(SiO4)3
_chemical_formula_sum            'Al2 Mn3 O12 Si3'
_chemical_name_mineral           Spessartine
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.641
_cell_length_b                   11.641
_cell_length_c                   11.641
_cell_formula_units_Z            8
_cell_volume                     1577.505
_database_code_amcsd             0002787
_diffrn_ambient_temperature      598
_exptl_crystal_density_diffrn    4.169
_cod_original_formula_sum        'O12 Mn3 Al2 Si3'
_cod_database_code               9002698
The crystal structures of grossular and spessartine between 100 and 600 K and the crystal chemistry of grossular-spessartine solid solutions Sample: T = 648 K
Rodehorst, U.; Geiger, C. A.; Armbruster, T.; American Mineralogist 87 (2002) 542–549; doi:

data_9002699
_publ_section_title
;
 The crystal structures of grossular and spessartine between 100 and 600 K
 and the crystal chemistry of grossular-spessartine solid solutions
 Sample: T = 648 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              542
_journal_page_last               549
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Mn3Al2(SiO4)3
_chemical_formula_sum            'Al2 Mn3 O12 Si3'
_chemical_name_mineral           Spessartine
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.645
_cell_length_b                   11.645
_cell_length_c                   11.645
_cell_formula_units_Z            8
_cell_volume                     1579.132
_database_code_amcsd             0002788
_diffrn_ambient_temperature      648
_exptl_crystal_density_diffrn    4.164
_cod_original_formula_sum        'O12 Mn3 Al2 Si3'
_cod_database_code               9002699
The structures of becquerelite and Sr-exchanged becquerelite
Burns, P. C.; Li, Y.; American Mineralogist 87 (2002) 550–557; doi:

data_9002700
_publ_section_title
;
 The structures of becquerelite and Sr-exchanged becquerelite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              550
_journal_page_last               557
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Ca(UO2)6O4(OH)6*8(H2O)
_chemical_formula_sum            'Ca H22 O30 U6'
_chemical_name_mineral           Becquerelite
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P -2ac -2n'
_symmetry_space_group_name_H-M   'P n 21 a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.8527
_cell_length_b                   12.3929
_cell_length_c                   14.9297
_cell_volume                     2563.058
_database_code_amcsd             0002789
_exptl_crystal_density_diffrn    5.106
_cod_original_formula_sum        'U6 Ca O30 H22'
_cod_database_code               9002700
The structures of becquerelite and Sr-exchanged becquerelite put occ in tables Sample: Sr-exchanged becquerelite
Burns, P. C.; Li, Y.; American Mineralogist 87 (2002) 550–557; doi:

data_9002701
_publ_section_title
;
 The structures of becquerelite and Sr-exchanged becquerelite
 put occ in tables
 Sample: Sr-exchanged becquerelite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              550
_journal_page_last               557
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Ca(UO2)6O4(OH)6*8(H2O)
_chemical_formula_sum            'H9 O14 Sr1.27 U3'
_chemical_name_mineral           Becquerelite
_space_group_IT_number           143
_symmetry_space_group_name_Hall  'P 3'
_symmetry_space_group_name_H-M   'P 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   7.020
_cell_length_b                   7.020
_cell_length_c                   6.992
_cell_volume                     298.405
_database_code_amcsd             0002790
_exptl_crystal_density_diffrn    5.890
_cod_original_formula_sum        'U3 Sr1.27 O14 H9'
_cod_database_code               9002701
High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet: Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa Sample: P = 0
Lager, G. A.; Downs, R. T.; Origlieri, M. J.; Garoutte, R.; American Mineralogist 87 (2002) 642–647; doi:

data_9002702
_publ_section_title
;
 High-pressure single-crystal X-ray diffraction study of katoite hydrogarnet:
 Evidence for a phase transition from Ia-3d - I-43d symmetry at 5 GPa
 Sample: P = 0
;
_journal_name_full               'American Mineralogist'
_journal_page_first              642
_journal_page_last               647
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            'Al2 Ca3 H12 O12 Si3'
_chemical_name_mineral           Katoite
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.5731
_cell_length_b                   12.5731
_cell_length_c                   12.5731
_cell_volume                     1987.591
_database_code_amcsd             0002791
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    3.091
_cod_original_formula_sum        'Ca3 Al2 Si3 (O12 H12)'
_cod_database_code               9002702