LMucko/crystallography-open-database huggingface dataset:
A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P = 7.93 GPa, (Mg1.54Li.23Sc.23)Si2O6
Yang, H.; Finger, L. W.; Conrad, P. G.; Prewitt, C. T.; Hazen, R. M.; American Mineralogist 84 (1999) 245–256; doi:

data_9002036
_publ_section_title
;A new pyroxene structure at high pressure: Single-crystal X-ray and Raman
 study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P =
 7.93 GPa, (Mg1.54Li.23Sc.23)Si2O6
;
_journal_name_full               'American Mineralogist'
_journal_page_first              245
_journal_page_last               256
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Li0.23 Mg1.54 O6 Sc0.23 Si2'
_chemical_name_mineral           Protopyroxene
_symmetry_space_group_name_H-M   'P 21 c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.0219
_cell_length_b                   8.6711
_cell_length_c                   5.0898
_cell_formula_units_Z            4
_cell_volume                     398.174
_diffrn_ambient_pressure         7.93e+06
_exptl_crystal_density_diffrn    3.362
_cod_original_formula_sum        '(Mg1.54 Sc.23) Li.23 Si2 O6'
_cod_database_code               9002036
_database_code_amcsd 0002098
A new pyroxene structure at high pressure: Single-crystal X-ray and Raman study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P = 9.98 GPa, (Mg1.54Li.23Sc.23)Si2O6
Yang, H.; Finger, L. W.; Conrad, P. G.; Prewitt, C. T.; Hazen, R. M.; American Mineralogist 84 (1999) 245–256; doi:

data_9002037
_publ_section_title
;A new pyroxene structure at high pressure: Single-crystal X-ray and Raman
 study of the Pbcn - P2_1cn phase transition in protopyroxene Sample at P =
 9.98 GPa, (Mg1.54Li.23Sc.23)Si2O6
;
_journal_name_full               'American Mineralogist'
_journal_page_first              245
_journal_page_last               256
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Li0.23 Mg1.54 O6 Sc0.23 Si2'
_chemical_name_mineral           Protopyroxene
_symmetry_space_group_name_H-M   'P 21 c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.9921
_cell_length_b                   8.6310
_cell_length_c                   5.0659
_cell_formula_units_Z            4
_cell_volume                     393.169
_diffrn_ambient_pressure         9.98e+06
_exptl_crystal_density_diffrn    3.405
_cod_original_formula_sum        '(Mg1.54 Sc.23) Li.23 Si2 O6'
_cod_database_code               9002037
_database_code_amcsd 0002099
Composition, stability, and structure of a new member of the aenigmatite group, Na2Mg4+xFe2-2xSi6+xO20, synthesized at 13-14 GPa
Gasparik, T.; Parise, J. B.; Reeder, R. J.; Young, V. G.; Wilford, W. S.; American Mineralogist 84 (1999) 257–266; doi:

data_9002038
_publ_section_title
;Composition, stability, and structure of a new member of the aenigmatite
 group, Na2Mg4+xFe2-2xSi6+xO20, synthesized at 13-14 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              257
_journal_page_last               266
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Fe0.65 Mg2.163 Na O10 Si3.188'
_chemical_name_mineral           Aenigmatite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.15
_cell_angle_beta                 96.85
_cell_angle_gamma                125.47
_cell_formula_units_Z            4
_cell_length_a                   10.328
_cell_length_b                   10.724
_cell_length_c                   8.805
_cell_volume                     719.667
_database_code_amcsd             0002100
_exptl_crystal_density_diffrn    3.335
_exptl_crystal_pressure_history  'synthesized at 13-14 GPa'
_cod_original_formula_sum        'Mg2.163 Si3.188 Fe.65 Na O10'
_cod_database_code               9002038
Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5 titanites P = 1 atm
Angel, R. J.; Kunz, M.; Miletich, R.; Woodland, A. B.; Koch, M.; Knoche, R. L.; American Mineralogist 84 (1999) 282–287; doi:

data_9002039
_publ_section_title
;Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5
 titanites P = 1 atm
;
_journal_name_full               'American Mineralogist'
_journal_page_first              282
_journal_page_last               287
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Ca O5 Si2'
_chemical_name_mineral           Titanite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-A 2yab'
_symmetry_space_group_name_H-M   'A 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.175
_cell_angle_gamma                90
_cell_length_a                   6.5430
_cell_length_b                   8.3918
_cell_length_c                   6.3416
_cell_formula_units_Z            4
_cell_volume                     320.104
_database_code_amcsd             0002101
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    3.657
_cod_original_sg_symbol_H-M      'A 1 2/a 1'
_cod_original_formula_sum        'Ca Si2 O5'
_cod_database_code               9002039
_amcsd_formula_title             CaSi2O5
Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5 titanites P = 1.0 GPa
Angel, R. J.; Kunz, M.; Miletich, R.; Woodland, A. B.; Koch, M.; Knoche, R. L.; American Mineralogist 84 (1999) 282–287; doi:

data_9002040
_publ_section_title
;Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5
 titanites P = 1.0 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              282
_journal_page_last               287
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Ca O5 Si2'
_chemical_name_mineral           Titanite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-A 2yab'
_symmetry_space_group_name_H-M   'A 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.087
_cell_angle_gamma                90
_cell_length_a                   6.5297
_cell_length_b                   8.3823
_cell_length_c                   6.3227
_cell_formula_units_Z            4
_cell_volume                     318.350
_database_code_amcsd             0002102
_diffrn_ambient_pressure         1e+06
_exptl_crystal_density_diffrn    3.677
_cod_original_sg_symbol_H-M      'A 1 2/a 1'
_cod_original_formula_sum        'Ca Si2 O5'
_cod_database_code               9002040
Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5 titanites P = 2.6 GPa
Angel, R. J.; Kunz, M.; Miletich, R.; Woodland, A. B.; Koch, M.; Knoche, R. L.; American Mineralogist 84 (1999) 282–287; doi:

data_9002041
_publ_section_title
;Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5
 titanites P = 2.6 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              282
_journal_page_last               287
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Ca O5 Si2'
_chemical_name_mineral           Titanite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-A 2yab'
_symmetry_space_group_name_H-M   'A 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.960
_cell_angle_gamma                90
_cell_length_a                   6.5096
_cell_length_b                   8.3636
_cell_length_c                   6.2954
_cell_formula_units_Z            4
_cell_volume                     315.592
_database_code_amcsd             0002103
_diffrn_ambient_pressure         2.6e+06
_exptl_crystal_density_diffrn    3.709
_cod_original_sg_symbol_H-M      'A 1 2/a 1'
_cod_original_formula_sum        'Ca Si2 O5'
_cod_database_code               9002041
Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5 titanites P = 4.4 GPa
Angel, R. J.; Kunz, M.; Miletich, R.; Woodland, A. B.; Koch, M.; Knoche, R. L.; American Mineralogist 84 (1999) 282–287; doi:

data_9002042
_publ_section_title
;Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5
 titanites P = 4.4 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              282
_journal_page_last               287
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Ca O5 Si2'
_chemical_name_mineral           Titanite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-A 2yab'
_symmetry_space_group_name_H-M   'A 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.784
_cell_angle_gamma                90
_cell_length_a                   6.4850
_cell_length_b                   8.3431
_cell_length_c                   6.2653
_cell_formula_units_Z            4
_cell_volume                     312.534
_database_code_amcsd             0002104
_diffrn_ambient_pressure         4.4e+06
_exptl_crystal_density_diffrn    3.746
_cod_original_sg_symbol_H-M      'A 1 2/a 1'
_cod_original_formula_sum        'Ca Si2 O5'
_cod_database_code               9002042
Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5 titanites P = 5.8 GPa
Angel, R. J.; Kunz, M.; Miletich, R.; Woodland, A. B.; Koch, M.; Knoche, R. L.; American Mineralogist 84 (1999) 282–287; doi:

data_9002043
_publ_section_title
;Effect of isovalent Si,Ti substitution on the bulk moduli of Ca(Ti1-xSix)SiO5
 titanites P = 5.8 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              282
_journal_page_last               287
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Ca O5 Si2'
_chemical_name_mineral           Titanite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-A 2yab'
_symmetry_space_group_name_H-M   'A 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.688
_cell_angle_gamma                90
_cell_length_a                   6.4699
_cell_length_b                   8.3294
_cell_length_c                   6.2444
_cell_formula_units_Z            4
_cell_volume                     310.473
_database_code_amcsd             0002105
_diffrn_ambient_pressure         5.8e+06
_exptl_crystal_density_diffrn    3.771
_cod_original_sg_symbol_H-M      'A 1 2/a 1'
_cod_original_formula_sum        'Ca Si2 O5'
_cod_database_code               9002043
Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C from in situ neutron diffraction Data collected at IPNS, Argonne National Laboratory, T = 299 K on heating cycle, MgAl2O4
Redfern, S. A. T.; Harrison, R. J.; O'Neill H St C; Wood, D. R. R.; American Mineralogist 84 (1999) 299–310; doi:

data_9002044
_publ_section_title
;Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction Data collected at IPNS, Argonne National
 Laboratory, T = 299 K on heating cycle, MgAl2O4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              299
_journal_page_last               310
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al2 Mg O4'
_chemical_name_mineral           Spinel
_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_formula_units_Z            8
_cell_length_a                   8.08360
_cell_length_b                   8.08360
_cell_length_c                   8.08360
_cell_volume                     528.220
_database_code_amcsd             0002106
_diffrn_ambient_temperature      299
_exptl_crystal_density_diffrn    3.578
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9002044
Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C from in situ neutron diffraction Data collected at IPNS, Argonne National Laboratory, T = 683 K on heating cycle, MgAl2O4
Redfern, S. A. T.; Harrison, R. J.; O'Neill H St C; Wood, D. R. R.; American Mineralogist 84 (1999) 299–310; doi:

data_9002045
_publ_section_title
;Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction Data collected at IPNS, Argonne National
 Laboratory, T = 683 K on heating cycle, MgAl2O4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              299
_journal_page_last               310
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al2 Mg O4'
_chemical_name_mineral           Spinel
_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_formula_units_Z            8
_cell_length_a                   8.11006
_cell_length_b                   8.11006
_cell_length_c                   8.11006
_cell_volume                     533.424
_database_code_amcsd             0002107
_diffrn_ambient_temperature      683
_exptl_crystal_density_diffrn    3.543
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9002045
Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C from in situ neutron diffraction Data collected at IPNS, Argonne National Laboratory, T = 707 K on heating cycle, MgAl2O4
Redfern, S. A. T.; Harrison, R. J.; O'Neill H St C; Wood, D. R. R.; American Mineralogist 84 (1999) 299–310; doi:

data_9002046
_publ_section_title
;Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction Data collected at IPNS, Argonne National
 Laboratory, T = 707 K on heating cycle, MgAl2O4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              299
_journal_page_last               310
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al2 Mg O4'
_chemical_name_mineral           Spinel
_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_formula_units_Z            8
_cell_length_a                   8.11142
_cell_length_b                   8.11142
_cell_length_c                   8.11142
_cell_volume                     533.692
_database_code_amcsd             0002108
_diffrn_ambient_temperature      707
_exptl_crystal_density_diffrn    3.541
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9002046
Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C from in situ neutron diffraction Data collected at IPNS, Argonne National Laboratory, T = 766 K on heating cycle, MgAl2O4
Redfern, S. A. T.; Harrison, R. J.; O'Neill H St C; Wood, D. R. R.; American Mineralogist 84 (1999) 299–310; doi:

data_9002047
_publ_section_title
;Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction Data collected at IPNS, Argonne National
 Laboratory, T = 766 K on heating cycle, MgAl2O4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              299
_journal_page_last               310
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al2 Mg O4'
_chemical_name_mineral           Spinel
_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_formula_units_Z            8
_cell_length_a                   8.11590
_cell_length_b                   8.11590
_cell_length_c                   8.11590
_cell_volume                     534.577
_database_code_amcsd             0002109
_diffrn_ambient_temperature      766
_exptl_crystal_density_diffrn    3.535
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9002047
Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C from in situ neutron diffraction Data collected at IPNS, Argonne National Laboratory, T = 837 K on heating cycle, MgAl2O4
Redfern, S. A. T.; Harrison, R. J.; O'Neill H St C; Wood, D. R. R.; American Mineralogist 84 (1999) 299–310; doi:

data_9002048
_publ_section_title
;Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction Data collected at IPNS, Argonne National
 Laboratory, T = 837 K on heating cycle, MgAl2O4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              299
_journal_page_last               310
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al2 Mg O4'
_chemical_name_mineral           Spinel
_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_formula_units_Z            8
_cell_length_a                   8.12066
_cell_length_b                   8.12066
_cell_length_c                   8.12066
_cell_volume                     535.518
_database_code_amcsd             0002110
_diffrn_ambient_temperature      837
_exptl_crystal_density_diffrn    3.529
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9002048
Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C from in situ neutron diffraction Data collected at IPNS, Argonne National Laboratory, T = 903 K on heating cycle, MgAl2O4
Redfern, S. A. T.; Harrison, R. J.; O'Neill H St C; Wood, D. R. R.; American Mineralogist 84 (1999) 299–310; doi:

data_9002049
_publ_section_title
;Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction Data collected at IPNS, Argonne National
 Laboratory, T = 903 K on heating cycle, MgAl2O4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              299
_journal_page_last               310
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al2 Mg O4'
_chemical_name_mineral           Spinel
_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_formula_units_Z            8
_cell_length_a                   8.12577
_cell_length_b                   8.12577
_cell_length_c                   8.12577
_cell_volume                     536.529
_database_code_amcsd             0002111
_diffrn_ambient_temperature      903
_exptl_crystal_density_diffrn    3.522
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9002049
Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C from in situ neutron diffraction Data collected at IPNS, Argonne National Laboratory, T = 969 K on heating cycle, MgAl2O4
Redfern, S. A. T.; Harrison, R. J.; O'Neill H St C; Wood, D. R. R.; American Mineralogist 84 (1999) 299–310; doi:

data_9002050
_publ_section_title
;Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction Data collected at IPNS, Argonne National
 Laboratory, T = 969 K on heating cycle, MgAl2O4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              299
_journal_page_last               310
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al2 Mg O4'
_chemical_name_mineral           Spinel
_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_formula_units_Z            8
_cell_length_a                   8.13098
_cell_length_b                   8.13098
_cell_length_c                   8.13098
_cell_volume                     537.562
_database_code_amcsd             0002112
_diffrn_ambient_temperature      969
_exptl_crystal_density_diffrn    3.516
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9002050
Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C from in situ neutron diffraction Data collected at IPNS, Argonne National Laboratory, T = 1035 K on heating cycle, MgAl2O4
Redfern, S. A. T.; Harrison, R. J.; O'Neill H St C; Wood, D. R. R.; American Mineralogist 84 (1999) 299–310; doi:

data_9002051
_publ_section_title
;Thermodynamics and kinetics of cation ordering in MgAl2O4 spinel up to 1600 C
 from in situ neutron diffraction Data collected at IPNS, Argonne National
 Laboratory, T = 1035 K on heating cycle, MgAl2O4
;
_journal_name_full               'American Mineralogist'
_journal_page_first              299
_journal_page_last               310
_journal_volume                  84
_journal_year                    1999
_chemical_formula_sum            'Al2 Mg O4'
_chemical_name_mineral           Spinel
_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_formula_units_Z            8
_cell_length_a                   8.13564
_cell_length_b                   8.13564
_cell_length_c                   8.13564
_cell_volume                     538.487
_database_code_amcsd             0002113
_diffrn_ambient_temperature      1035
_exptl_crystal_density_diffrn    3.510
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Mg Al2) O4'
_cod_database_code               9002051