LMucko/crystallography-open-database huggingface dataset:
Monoclinic nearly stoichiometric wustite at low temperatures Sample: BNL, T = 10 K
Fjellvag, H.; Hauback, B. C.; Vogt, T.; Stolen, S.; American Mineralogist 87 (2002) 347–349; doi:

data_9002669
_publ_section_title
;
 Monoclinic nearly stoichiometric wustite at low temperatures
 Sample: BNL, T = 10 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              347
_journal_page_last               349
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     FeO
_chemical_formula_sum            'Fe0.99 O'
_chemical_name_mineral           Wuestite
_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                 124.649
_cell_angle_gamma                90
_cell_length_a                   5.2615
_cell_length_b                   3.0334
_cell_length_c                   3.0602
_cell_formula_units_Z            2
_cell_volume                     40.179
_database_code_amcsd             0002758
_diffrn_ambient_temperature      10
_exptl_crystal_density_diffrn    5.892
_cod_original_formula_sum        'Fe.99 O'
_cod_database_code               9002669
Monoclinic nearly stoichiometric wustite at low temperatures Sample: Kjeller, T = 8 K
Fjellvag, H.; Hauback, B. C.; Vogt, T.; Stolen, S.; American Mineralogist 87 (2002) 347–349; doi:

data_9002670
_publ_section_title
;
 Monoclinic nearly stoichiometric wustite at low temperatures
 Sample: Kjeller, T = 8 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              347
_journal_page_last               349
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     FeO
_chemical_formula_sum            'Fe0.99 O'
_chemical_name_mineral           Wuestite
_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                 124.646
_cell_angle_gamma                90
_cell_length_a                   5.2642
_cell_length_b                   3.0327
_cell_length_c                   3.0626
_cell_formula_units_Z            2
_cell_volume                     40.224
_database_code_amcsd             0002759
_diffrn_ambient_temperature      8
_exptl_crystal_density_diffrn    5.886
_cod_original_formula_sum        'Fe.99 O'
_cod_database_code               9002670
Monoclinic nearly stoichiometric wustite at low temperatures Sample: BNL, T = 10 K
Fjellvag, H.; Hauback, B. C.; Vogt, T.; Stolen, S.; American Mineralogist 87 (2002) 347–349; doi:

data_9002671
_publ_section_title
;
 Monoclinic nearly stoichiometric wustite at low temperatures
 Sample: BNL, T = 10 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              347
_journal_page_last               349
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            Fe
_chemical_name_common            Iron
_chemical_name_mineral           Iron
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   2.855
_cell_length_b                   2.855
_cell_length_c                   2.855
_cell_formula_units_Z            2
_cell_volume                     23.271
_database_code_amcsd             0002760
_diffrn_ambient_temperature      10
_exptl_crystal_density_diffrn    7.970
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9002671
Monoclinic nearly stoichiometric wustite at low temperatures Sample: Kjeller, T = 8 K
Fjellvag, H.; Hauback, B. C.; Vogt, T.; Stolen, S.; American Mineralogist 87 (2002) 347–349; doi:

data_9002672
_publ_section_title
;
 Monoclinic nearly stoichiometric wustite at low temperatures
 Sample: Kjeller, T = 8 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              347
_journal_page_last               349
_journal_volume                  87
_journal_year                    2002
_chemical_formula_sum            Fe
_chemical_name_common            Iron
_chemical_name_mineral           Iron
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   2.8604
_cell_length_b                   2.8604
_cell_length_c                   2.8604
_cell_formula_units_Z            2
_cell_volume                     23.403
_database_code_amcsd             0002761
_diffrn_ambient_temperature      8
_exptl_crystal_density_diffrn    7.925
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9002672
Monoclinic nearly stoichiometric wustite at low temperatures Sample: BNL, T = 10 K
Fjellvag, H.; Hauback, B. C.; Vogt, T.; Stolen, S.; American Mineralogist 87 (2002) 347–349; doi:

data_9002673
_publ_section_title
;
 Monoclinic nearly stoichiometric wustite at low temperatures
 Sample: BNL, T = 10 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              347
_journal_page_last               349
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Fe3O4
_chemical_formula_sum            'Fe3 O4'
_chemical_name_mineral           Magnetite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.3851
_cell_length_b                   8.3851
_cell_length_c                   8.3851
_cell_formula_units_Z            8
_cell_volume                     589.556
_database_code_amcsd             0002762
_diffrn_ambient_temperature      10
_exptl_crystal_density_diffrn    5.217
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9002673
Monoclinic nearly stoichiometric wustite at low temperatures Sample: Kjeller, T = 8 K
Fjellvag, H.; Hauback, B. C.; Vogt, T.; Stolen, S.; American Mineralogist 87 (2002) 347–349; doi:

data_9002674
_publ_section_title
;
 Monoclinic nearly stoichiometric wustite at low temperatures
 Sample: Kjeller, T = 8 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              347
_journal_page_last               349
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Fe3O4
_chemical_formula_sum            'Fe3 O4'
_chemical_name_mineral           Magnetite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.3858
_cell_length_b                   8.3858
_cell_length_c                   8.3858
_cell_formula_units_Z            8
_cell_volume                     589.703
_database_code_amcsd             0002763
_diffrn_ambient_temperature      8
_exptl_crystal_density_diffrn    5.216
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9002674
On the nature of tincalconite
Luck, R. L.; Wang, G.; American Mineralogist 87 (2002) 350–354; doi:

data_9002675
_publ_section_title
;
 On the nature of tincalconite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              350
_journal_page_last               354
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     Na6[B4O5(OH)4]3*8(H2O)
_chemical_formula_sum            'B4 H8.667 Na2 O11.667'
_chemical_name_mineral           Tincalconite
_space_group_IT_number           155
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   11.1402
_cell_length_b                   11.1402
_cell_length_c                   21.207
_cell_formula_units_Z            9
_cell_volume                     2279.270
_database_code_amcsd             0002764
_exptl_crystal_density_diffrn    1.866
_cod_original_sg_symbol_H-M      'R 3 2'
_cod_original_formula_sum        'Na2 B4 O11.667 H8.667'
_cod_database_code               9002675
The role of iron and cation order in the crystal chemistry of surinamite, (Mg,Fe)3(Al,Fe)3O[AlBeSi3O15]: A crystal structure, Mossbauer spectroscopic, and optical spectroscopic study
Barbier, J.; Grew, E. S.; Halenius, E.; Halenius, U.; Yates, M. G.; American Mineralogist 87 (2002) 501–513; doi:

data_9002676
_publ_section_title
;
 The role of iron and cation order in the crystal chemistry of surinamite,
 (Mg,Fe)3(Al,Fe)3O[AlBeSi3O15]: A crystal structure, Mossbauer spectroscopic,
 and optical spectroscopic study
;
_journal_name_full               'American Mineralogist'
_journal_page_first              501
_journal_page_last               513
_journal_volume                  87
_journal_year                    2002
_chemical_formula_structural     (Mg,Fe)3Al4BeSi3O16
_chemical_formula_sum            'Al3.605 Be Fe1.125 Mg2.27 O16 Si3'
_chemical_name_mineral           Surinamite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.30
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.915
_cell_length_b                   11.368
_cell_length_c                   9.617
_cell_volume                     1023.050
_database_code_amcsd             0002765
_exptl_crystal_density_diffrn    3.665
_cod_original_formula_sum        'Mg2.27 Fe1.125 Al3.605 Be Si3 O16'
_cod_database_code               9002676
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_9002677
_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     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                   11.840
_cell_length_b                   11.840
_cell_length_c                   11.840
_cell_formula_units_Z            8
_cell_volume                     1659.798
_database_code_amcsd             0002766
_diffrn_ambient_temperature      103
_exptl_crystal_density_diffrn    3.605
_cod_original_formula_sum        'O12 Ca3 Al2 Si3'
_cod_database_code               9002677
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_9002678
_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     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                   11.842
_cell_length_b                   11.842
_cell_length_c                   11.842
_cell_formula_units_Z            8
_cell_volume                     1660.639
_database_code_amcsd             0002767
_diffrn_ambient_temperature      156
_exptl_crystal_density_diffrn    3.603
_cod_original_formula_sum        'O12 Ca3 Al2 Si3'
_cod_database_code               9002678
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_9002679
_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     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                   11.844
_cell_length_b                   11.844
_cell_length_c                   11.844
_cell_formula_units_Z            8
_cell_volume                     1661.480
_database_code_amcsd             0002768
_diffrn_ambient_temperature      205
_exptl_crystal_density_diffrn    3.602
_cod_original_formula_sum        'O12 Ca3 Al2 Si3'
_cod_database_code               9002679
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_9002680
_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     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                   11.847
_cell_length_b                   11.847
_cell_length_c                   11.847
_cell_formula_units_Z            8
_cell_volume                     1662.743
_database_code_amcsd             0002769
_diffrn_ambient_temperature      261
_exptl_crystal_density_diffrn    3.599
_cod_original_formula_sum        'O12 Ca3 Al2 Si3'
_cod_database_code               9002680
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_9002681
_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     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                   11.849
_cell_length_b                   11.849
_cell_length_c                   11.849
_cell_formula_units_Z            8
_cell_volume                     1663.585
_database_code_amcsd             0002770
_diffrn_ambient_temperature      273
_exptl_crystal_density_diffrn    3.597
_cod_original_formula_sum        'O12 Ca3 Al2 Si3'
_cod_database_code               9002681
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_9002682
_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     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                   11.850
_cell_length_b                   11.850
_cell_length_c                   11.850
_cell_formula_units_Z            8
_cell_volume                     1664.007
_database_code_amcsd             0002771
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    3.596
_cod_original_formula_sum        'O12 Ca3 Al2 Si3'
_cod_database_code               9002682
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_9002683
_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     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                   11.853
_cell_length_b                   11.853
_cell_length_c                   11.853
_cell_formula_units_Z            8
_cell_volume                     1665.271
_database_code_amcsd             0002772
_diffrn_ambient_temperature      348
_exptl_crystal_density_diffrn    3.593
_cod_original_formula_sum        'O12 Ca3 Al2 Si3'
_cod_database_code               9002683
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_9002684
_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     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                   11.855
_cell_length_b                   11.855
_cell_length_c                   11.855
_cell_formula_units_Z            8
_cell_volume                     1666.114
_database_code_amcsd             0002773
_diffrn_ambient_temperature      398
_exptl_crystal_density_diffrn    3.592
_cod_original_formula_sum        'O12 Ca3 Al2 Si3'
_cod_database_code               9002684
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_9002685
_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     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                   11.860
_cell_length_b                   11.860
_cell_length_c                   11.860
_cell_formula_units_Z            8
_cell_volume                     1668.223
_database_code_amcsd             0002774
_diffrn_ambient_temperature      448
_exptl_crystal_density_diffrn    3.587
_cod_original_formula_sum        'O12 Ca3 Al2 Si3'
_cod_database_code               9002685