LMucko/crystallography-open-database huggingface dataset:
Incorporation of rare earth elements in titanite: Stabilization of the A2/a dimorph by creation of antiphase boundaries Sample: Dy-Al
Hughes, J. M.; Bloodaxe, E. S.; Hanchar, J. M.; Foord, E. E.; American Mineralogist 82 (1997) 512–516; doi:

data_9001845
_publ_section_title
;
 Incorporation of rare earth elements in titanite: Stabilization of the A2/a
 dimorph by creation of antiphase boundaries
 Sample: Dy-Al
;
_journal_name_full               'American Mineralogist'
_journal_page_first              512
_journal_page_last               516
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Ca O5 Si Ti'
_chemical_name_mineral           Titanite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.84
_cell_angle_gamma                90
_cell_length_a                   7.057
_cell_length_b                   8.710
_cell_length_c                   6.555
_cell_formula_units_Z            4
_cell_volume                     368.535
_database_code_amcsd             0001901
_exptl_crystal_density_diffrn    3.533
_cod_original_formula_sum        'Ti Ca Si O5'
_cod_database_code               9001845
Clarkeite: New chemical and structural data
Finch, R. J.; Ewing, R. C.; American Mineralogist 82 (1997) 607–619; doi:

data_9001846
_publ_section_title
;
 Clarkeite: New chemical and structural data
;
_journal_name_full               'American Mineralogist'
_journal_page_first              607
_journal_page_last               619
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Na O4 U'
_chemical_name_mineral           Clarkeite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.954
_cell_length_b                   3.954
_cell_length_c                   17.660
_cell_formula_units_Z            3
_cell_volume                     239.108
_database_code_amcsd             0001902
_exptl_crystal_density_diffrn    6.771
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'U Na O4'
_cod_database_code               9001846
Crystal chemistry of superfluorous phase B (Mg10Si3O14F4): Implications for the role of fluorine in the mantle
Hazen, R. M.; Yang, H.; Prewitt, C. T.; Gasparik, T.; American Mineralogist 82 (1997) 647–650; doi:

data_9001847
_publ_section_title
;Crystal chemistry of superfluorous phase B (Mg10Si3O14F4): Implications for
 the role of fluorine in the mantle
;
_journal_name_full               'American Mineralogist'
_journal_page_first              647
_journal_page_last               650
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'F4 Mg10 O14 Si3'
_chemical_name_mineral           Phase-B-superfluorous
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.050
_cell_length_b                   13.969
_cell_length_c                   8.640
_cell_formula_units_Z            2
_cell_volume                     609.495
_database_code_amcsd             0001903
_exptl_crystal_density_diffrn    3.418
_cod_original_formula_sum        'Si3 Mg10 O14 F4'
_cod_database_code               9001847
Crystal structure of the dense hydrous magnesium silicate, phase D
Yang, H.; Prewitt, C. T.; Frost, D. J.; American Mineralogist 82 (1997) 651–654; doi:

data_9001848
_publ_section_title
;
 Crystal structure of the dense hydrous magnesium silicate, phase D
;
_journal_name_full               'American Mineralogist'
_journal_page_first              651
_journal_page_last               654
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'H2.22 Mg1.11 O6 Si1.89'
_chemical_name_mineral           Phase-D
_space_group_IT_number           162
_symmetry_space_group_name_Hall  '-P 3 2'
_symmetry_space_group_name_H-M   'P -3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.7453
_cell_length_b                   4.7453
_cell_length_c                   4.3450
_cell_volume                     84.732
_database_code_amcsd             0001904
_exptl_crystal_density_diffrn    3.494
_cod_original_formula_sum        'Mg1.11 Si1.89 H2.22 O6'
_cod_database_code               9001848
The equation of state and high-pressure behaviour of magnesite Sample: at P = 0
Ross, N. L.; American Mineralogist 82 (1997) 682–688; doi:

data_9001849
_publ_section_title
;
 The equation of state and high-pressure behaviour of magnesite
 Sample: at P = 0
;
_journal_name_full               'American Mineralogist'
_journal_page_first              682
_journal_page_last               688
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'C Mg O3'
_chemical_name_mineral           Magnesite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.6339
_cell_length_b                   4.6339
_cell_length_c                   15.0177
_cell_formula_units_Z            6
_cell_volume                     279.272
_database_code_amcsd             0001905
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    3.008
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Mg C O3'
_cod_database_code               9001849
The equation of state and high-pressure behaviour of magnesite Sample: at P = 2.26 GPa
Ross, N. L.; American Mineralogist 82 (1997) 682–688; doi:

data_9001850
_publ_section_title
;
 The equation of state and high-pressure behaviour of magnesite
 Sample: at P = 2.26 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              682
_journal_page_last               688
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'C Mg O3'
_chemical_name_mineral           Magnesite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.6149
_cell_length_b                   4.6149
_cell_length_c                   14.867
_cell_formula_units_Z            6
_cell_volume                     274.207
_database_code_amcsd             0001906
_diffrn_ambient_pressure         2.26e+06
_exptl_crystal_density_diffrn    3.064
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Mg C O3'
_cod_database_code               9001850
The equation of state and high-pressure behaviour of magnesite Sample: at P = 3.09 GPa
Ross, N. L.; American Mineralogist 82 (1997) 682–688; doi:

data_9001851
_publ_section_title
;
 The equation of state and high-pressure behaviour of magnesite
 Sample: at P = 3.09 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              682
_journal_page_last               688
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'C Mg O3'
_chemical_name_mineral           Magnesite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.6068
_cell_length_b                   4.6068
_cell_length_c                   14.8170
_cell_formula_units_Z            6
_cell_volume                     272.326
_database_code_amcsd             0001907
_diffrn_ambient_pressure         3.09e+06
_exptl_crystal_density_diffrn    3.085
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Mg C O3'
_cod_database_code               9001851
The equation of state and high-pressure behaviour of magnesite Sample: at P = 4.16 GPa
Ross, N. L.; American Mineralogist 82 (1997) 682–688; doi:

data_9001852
_publ_section_title
;
 The equation of state and high-pressure behaviour of magnesite
 Sample: at P = 4.16 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              682
_journal_page_last               688
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'C Mg O3'
_chemical_name_mineral           Magnesite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.5988
_cell_length_b                   4.5988
_cell_length_c                   14.7525
_cell_formula_units_Z            6
_cell_volume                     270.200
_database_code_amcsd             0001908
_diffrn_ambient_pressure         4.16e+06
_exptl_crystal_density_diffrn    3.109
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Mg C O3'
_cod_database_code               9001852
The equation of state and high-pressure behaviour of magnesite Sample: at P = 4.77 GPa
Ross, N. L.; American Mineralogist 82 (1997) 682–688; doi:

data_9001853
_publ_section_title
;
 The equation of state and high-pressure behaviour of magnesite
 Sample: at P = 4.77 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              682
_journal_page_last               688
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'C Mg O3'
_chemical_name_mineral           Magnesite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.5937
_cell_length_b                   4.5937
_cell_length_c                   14.7157
_cell_formula_units_Z            6
_cell_volume                     268.928
_database_code_amcsd             0001909
_diffrn_ambient_pressure         4.77e+06
_exptl_crystal_density_diffrn    3.124
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Mg C O3'
_cod_database_code               9001853
The equation of state and high-pressure behaviour of magnesite Sample: at P = 6.05 GPa
Ross, N. L.; American Mineralogist 82 (1997) 682–688; doi:

data_9001854
_publ_section_title
;
 The equation of state and high-pressure behaviour of magnesite
 Sample: at P = 6.05 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              682
_journal_page_last               688
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'C Mg O3'
_chemical_name_mineral           Magnesite
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.5812
_cell_length_b                   4.5812
_cell_length_c                   14.6302
_cell_formula_units_Z            6
_cell_volume                     265.913
_database_code_amcsd             0001910
_diffrn_ambient_pressure         6.05e+06
_exptl_crystal_density_diffrn    3.159
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_original_formula_sum        'Mg C O3'
_cod_database_code               9001854
The synthetic Cr2+ silicates BaCrSi4O10 and SrCrSi4O10: The missing links in the gillespite-type ABSi4O10 series BaCrSi4O10
Miletich, R.; Allan, D. R.; Angel, R. J.; American Mineralogist 82 (1997) 697–707; doi:

data_9001855
_publ_section_title
;
 The synthetic Cr2+ silicates BaCrSi4O10 and SrCrSi4O10: The missing links in
 the gillespite-type ABSi4O10 series
 BaCrSi4O10
;
_journal_name_full               'American Mineralogist'
_journal_page_first              697
_journal_page_last               707
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Ba Cr O10 Si4'
_chemical_name_mineral           Gillespite
_space_group_IT_number           130
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.5314
_cell_length_b                   7.5314
_cell_length_c                   16.0518
_cell_formula_units_Z            4
_cell_volume                     910.490
_database_code_amcsd             0001911
_exptl_crystal_density_diffrn    3.368
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        'Ba Cr Si4 O10'
_cod_database_code               9001855
The synthetic Cr2+ silicates BaCrSi4O10 and SrCrSi4O10: The missing links in the gillespite-type ABSi4O10 series SrCrSi4O10
Miletich, R.; Allan, D. R.; Angel, R. J.; American Mineralogist 82 (1997) 697–707; doi:

data_9001856
_publ_section_title
;
 The synthetic Cr2+ silicates BaCrSi4O10 and SrCrSi4O10: The missing links in
 the gillespite-type ABSi4O10 series
 SrCrSi4O10
;
_journal_name_full               'American Mineralogist'
_journal_page_first              697
_journal_page_last               707
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Cr O10 Si4 Sr'
_chemical_name_mineral           Gillespite
_space_group_IT_number           130
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.4562
_cell_length_b                   7.4562
_cell_length_c                   15.5414
_cell_formula_units_Z            4
_cell_volume                     864.023
_database_code_amcsd             0001912
_exptl_crystal_density_diffrn    3.167
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        'Sr Cr Si4 O10'
_cod_database_code               9001856
The synthetic Cr2+ silicates BaCrSi4O10 and SrCrSi4O10: The missing links in the gillespite-type ABSi4O10 series CaCrSi4O10
Miletich, R.; Allan, D. R.; Angel, R. J.; American Mineralogist 82 (1997) 697–707; doi:

data_9001857
_publ_section_title
;
 The synthetic Cr2+ silicates BaCrSi4O10 and SrCrSi4O10: The missing links in
 the gillespite-type ABSi4O10 series
 CaCrSi4O10
;
_journal_name_full               'American Mineralogist'
_journal_page_first              697
_journal_page_last               707
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Ca Cr O10 Si4'
_chemical_name_mineral           Gillespite
_space_group_IT_number           130
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.3772
_cell_length_b                   7.3772
_cell_length_c                   15.1231
_cell_formula_units_Z            4
_cell_volume                     823.046
_database_code_amcsd             0001913
_exptl_crystal_density_diffrn    2.941
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        'Ca Cr Si4 O10'
_cod_database_code               9001857
A Rietveld and infrared study of synthetic amphiboles along the potassium-richterite-tremolite join Sample: Kr100
Hawthorne, F. C.; Della Ventura, G.; Robert, J.-L.; Welch, M. D.; Jenkins, D. M.; American Mineralogist 82 (1997) 708–716; doi:

data_9001858
_publ_section_title
;
 A Rietveld and infrared study of synthetic amphiboles along the
 potassium-richterite-tremolite join
 Sample: Kr100
;
_journal_name_full               'American Mineralogist'
_journal_page_first              708
_journal_page_last               716
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Ca K2 Mg5 Na O24 Si8'
_chemical_name_mineral           Richterite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.832
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.0547
_cell_length_b                   17.997
_cell_length_c                   5.2746
_cell_volume                     922.660
_database_code_amcsd             0001914
_exptl_crystal_density_diffrn    3.137
_cod_original_formula_sum        'Si8 Mg5 (Ca Na) K2 O24'
_cod_database_code               9001858
A Rietveld and infrared study of synthetic amphiboles along the potassium-richterite-tremolite join Sample: Kr80
Hawthorne, F. C.; Della Ventura, G.; Robert, J.-L.; Welch, M. D.; Jenkins, D. M.; American Mineralogist 82 (1997) 708–716; doi:

data_9001859
_publ_section_title
;
 A Rietveld and infrared study of synthetic amphiboles along the
 potassium-richterite-tremolite join
 Sample: Kr80
;
_journal_name_full               'American Mineralogist'
_journal_page_first              708
_journal_page_last               716
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Ca1.2 K1.6 Mg5 Na0.8 O24 Si8'
_chemical_name_mineral           Richterite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.786
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.0209
_cell_length_b                   18.001
_cell_length_c                   5.2730
_cell_volume                     919.679
_database_code_amcsd             0001915
_exptl_crystal_density_diffrn    3.103
_cod_original_formula_sum        'Si8 Mg5 (Ca1.2 Na.8) K1.6 O24'
_cod_database_code               9001859
A Rietveld and infrared study of synthetic amphiboles along the potassium-richterite-tremolite join Sample: Kr60
Hawthorne, F. C.; Della Ventura, G.; Robert, J.-L.; Welch, M. D.; Jenkins, D. M.; American Mineralogist 82 (1997) 708–716; doi:

data_9001860
_publ_section_title
;
 A Rietveld and infrared study of synthetic amphiboles along the
 potassium-richterite-tremolite join
 Sample: Kr60
;
_journal_name_full               'American Mineralogist'
_journal_page_first              708
_journal_page_last               716
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Ca1.4 K1.2 Mg5 Na0.6 O24 Si8'
_chemical_name_mineral           Richterite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.746
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.9884
_cell_length_b                   18.016
_cell_length_c                   5.2730
_cell_volume                     917.629
_database_code_amcsd             0001916
_exptl_crystal_density_diffrn    3.066
_cod_original_formula_sum        'Si8 Mg5 (Ca1.4 Na.6) K1.2 O24'
_cod_database_code               9001860
A Rietveld and infrared study of synthetic amphiboles along the potassium-richterite-tremolite join Sample: Kr40
Hawthorne, F. C.; Della Ventura, G.; Robert, J.-L.; Welch, M. D.; Jenkins, D. M.; American Mineralogist 82 (1997) 708–716; doi:

data_9001861
_publ_section_title
;
 A Rietveld and infrared study of synthetic amphiboles along the
 potassium-richterite-tremolite join
 Sample: Kr40
;
_journal_name_full               'American Mineralogist'
_journal_page_first              708
_journal_page_last               716
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Ca1.6 K0.4 Mg5 Na0.4 O24 Si8'
_chemical_name_mineral           Richterite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.724
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.9548
_cell_length_b                   18.021
_cell_length_c                   5.2735
_cell_volume                     914.975
_database_code_amcsd             0001917
_exptl_crystal_density_diffrn    2.973
_cod_original_formula_sum        'Si8 Mg5 (Ca1.6 Na.4) K.4 O24'
_cod_database_code               9001861
A Rietveld and infrared study of synthetic amphiboles along the potassium-richterite-tremolite join Sample: Kr20 Note, Kr0 sample from Smelik et al (1994) Am Min 79, 1110-1122
Hawthorne, F. C.; Della Ventura, G.; Robert, J.-L.; Welch, M. D.; Jenkins, D. M.; American Mineralogist 82 (1997) 708–716; doi:

data_9001862
_publ_section_title
;
 A Rietveld and infrared study of synthetic amphiboles along the
 potassium-richterite-tremolite join
 Sample: Kr20
 Note, Kr0 sample from Smelik et al (1994) Am Min 79, 1110-1122
;
_journal_name_full               'American Mineralogist'
_journal_page_first              708
_journal_page_last               716
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Ca1.8 K0.4 Mg5 Na0.2 O24 Si8'
_chemical_name_mineral           Richterite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.67
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.924
_cell_length_b                   18.030
_cell_length_c                   5.2749
_cell_volume                     913.068
_database_code_amcsd             0001918
_exptl_crystal_density_diffrn    2.992
_cod_original_formula_sum        'Si8 Mg5 (Ca1.8 Na.2) K.4 O24'
_cod_database_code               9001862