LMucko/crystallography-open-database huggingface dataset:
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite Sample: Co60
Della Ventura, G.; Robert, J.-L.; Raudsepp, M.; Hawthorne, F. C.; Welch, M. D.; American Mineralogist 82 (1997) 291–301; doi:

data_9001827
_publ_section_title
;Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
 refinement and infrared spectroscopy of (nickel, magnesium,
 cobalt)-richterite Sample: Co60
;
_journal_name_full               'American Mineralogist'
_journal_page_first              291
_journal_page_last               301
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Ca1.1 Co3.04 Mg1.96 Na2.76 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                 104.259
_cell_angle_gamma                90
_cell_length_a                   9.9436
_cell_length_b                   18.029
_cell_length_c                   5.2740
_cell_formula_units_Z            2
_cell_volume                     916.358
_database_code_amcsd             0001883
_exptl_crystal_density_diffrn    3.418
_cod_original_formula_sum        'Si8 (Mg1.96 Co3.04) Ca1.1 Na2.76 O24'
_cod_database_code               9001827
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite Sample: Co80
Della Ventura, G.; Robert, J.-L.; Raudsepp, M.; Hawthorne, F. C.; Welch, M. D.; American Mineralogist 82 (1997) 291–301; doi:

data_9001828
_publ_section_title
;Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
 refinement and infrared spectroscopy of (nickel, magnesium,
 cobalt)-richterite Sample: Co80
;
_journal_name_full               'American Mineralogist'
_journal_page_first              291
_journal_page_last               301
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Ca Co3.87 Mg1.13 Na3 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                 104.413
_cell_angle_gamma                90
_cell_length_a                   9.9568
_cell_length_b                   18.049
_cell_length_c                   5.2742
_cell_formula_units_Z            2
_cell_volume                     917.997
_database_code_amcsd             0001884
_exptl_crystal_density_diffrn    3.521
_cod_original_formula_sum        'Si8 (Mg1.13 Co3.87) Ca Na3 O24'
_cod_database_code               9001828
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite Sample: Co100
Della Ventura, G.; Robert, J.-L.; Raudsepp, M.; Hawthorne, F. C.; Welch, M. D.; American Mineralogist 82 (1997) 291–301; doi:

data_9001829
_publ_section_title
;Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
 refinement and infrared spectroscopy of (nickel, magnesium,
 cobalt)-richterite Sample: Co100
;
_journal_name_full               'American Mineralogist'
_journal_page_first              291
_journal_page_last               301
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Ca0.94 Co5 Na3.06 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                 104.261
_cell_angle_gamma                90
_cell_length_a                   9.9724
_cell_length_b                   18.069
_cell_length_c                   5.2775
_cell_formula_units_Z            2
_cell_volume                     921.654
_database_code_amcsd             0001885
_exptl_crystal_density_diffrn    3.644
_cod_original_formula_sum        'Si8 Co5 Ca.94 Na3.06 O24'
_cod_database_code               9001829
Terranovaite from Antarctica: A new 'pentasil' zeolite
Galli, E.; Quartieri, S.; Vezzalini, G.; Alberti, A.; Franzini, M.; American Mineralogist 82 (1997) 423–429; doi:

data_9001830
_publ_section_title
;
 Terranovaite from Antarctica: A new 'pentasil' zeolite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              423
_journal_page_last               429
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Al3 Ca1.48 H54 Na1.48 O50.72 Si17'
_chemical_name_mineral           Terranovaite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.747
_cell_length_b                   23.880
_cell_length_c                   20.068
_cell_volume                     4670.995
_cell_formula_units_Z            4
_database_code_amcsd             0001886
_exptl_crystal_density_diffrn    2.158
_cod_original_formula_sum        '(Si17 Al3) O50.72 Na1.48 Ca1.48 H54'
_cod_database_code               9001830
High-pressure behavior of kyanite: Compressibility and structural deformation Sample: P = 0.001 kbar, in air
Comodi, P.; Zanazzi, P. F.; Poli, S.; Schmidt, M. W.; American Mineralogist 82 (1997) 452–459; doi:

data_9001831
_publ_section_title
;High-pressure behavior of kyanite: Compressibility and structural deformation
 Sample: P = 0.001 kbar, in air
;
_journal_name_full               'American Mineralogist'
_journal_page_first              452
_journal_page_last               459
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Al2 O5 Si'
_chemical_name_mineral           Kyanite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.99
_cell_angle_beta                 101.15
_cell_angle_gamma                105.95
_cell_length_a                   7.124
_cell_length_b                   7.856
_cell_length_c                   5.577
_cell_formula_units_Z            4
_cell_volume                     293.978
_database_code_amcsd             0001887
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    3.661
_cod_original_formula_sum        'Si Al2 O5'
_cod_database_code               9001831
High-pressure behavior of kyanite: Compressibility and structural deformation Sample: P = 0.1 kbar
Comodi, P.; Zanazzi, P. F.; Poli, S.; Schmidt, M. W.; American Mineralogist 82 (1997) 452–459; doi:

data_9001832
_publ_section_title
;High-pressure behavior of kyanite: Compressibility and structural deformation
 Sample: P = 0.1 kbar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              452
_journal_page_last               459
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Al2 O5 Si'
_chemical_name_mineral           Kyanite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.02
_cell_angle_beta                 101.02
_cell_angle_gamma                106.06
_cell_length_a                   7.117
_cell_length_b                   7.860
_cell_length_c                   5.575
_cell_formula_units_Z            4
_cell_volume                     293.697
_database_code_amcsd             0001888
_diffrn_ambient_pressure         10000
_exptl_crystal_density_diffrn    3.665
_cod_original_formula_sum        'Si Al2 O5'
_cod_database_code               9001832
High-pressure behavior of kyanite: Compressibility and structural deformation Sample: P = 25.4 kbar
Comodi, P.; Zanazzi, P. F.; Poli, S.; Schmidt, M. W.; American Mineralogist 82 (1997) 452–459; doi:

data_9001833
_publ_section_title
;High-pressure behavior of kyanite: Compressibility and structural deformation
 Sample: P = 25.4 kbar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              452
_journal_page_last               459
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Al2 O5 Si'
_chemical_name_mineral           Kyanite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.13
_cell_angle_beta                 101.00
_cell_angle_gamma                105.98
_cell_length_a                   7.079
_cell_length_b                   7.824
_cell_length_c                   5.547
_cell_formula_units_Z            4
_cell_volume                     289.439
_database_code_amcsd             0001889
_diffrn_ambient_pressure         2.54e+06
_exptl_crystal_density_diffrn    3.719
_cod_original_formula_sum        'Si Al2 O5'
_cod_database_code               9001833
High-pressure behavior of kyanite: Compressibility and structural deformation Sample: P = 37 kbar
Comodi, P.; Zanazzi, P. F.; Poli, S.; Schmidt, M. W.; American Mineralogist 82 (1997) 452–459; doi:

data_9001834
_publ_section_title
;High-pressure behavior of kyanite: Compressibility and structural deformation
 Sample: P = 37 kbar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              452
_journal_page_last               459
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Al2 O5 Si'
_chemical_name_mineral           Kyanite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.12
_cell_angle_beta                 101.08
_cell_angle_gamma                105.86
_cell_length_a                   7.065
_cell_length_b                   7.805
_cell_length_c                   5.537
_cell_formula_units_Z            4
_cell_volume                     287.743
_database_code_amcsd             0001890
_diffrn_ambient_pressure         3.7e+06
_exptl_crystal_density_diffrn    3.741
_cod_original_formula_sum        'Si Al2 O5'
_cod_database_code               9001834
High-pressure behavior of kyanite: Compressibility and structural deformation Sample: P = 47 kbar
Comodi, P.; Zanazzi, P. F.; Poli, S.; Schmidt, M. W.; American Mineralogist 82 (1997) 452–459; doi:

data_9001835
_publ_section_title
;High-pressure behavior of kyanite: Compressibility and structural deformation
 Sample: P = 47 kbar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              452
_journal_page_last               459
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Al2 O5 Si'
_chemical_name_mineral           Kyanite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.13
_cell_angle_beta                 101.16
_cell_angle_gamma                105.85
_cell_length_a                   7.063
_cell_length_b                   7.784
_cell_length_c                   5.524
_cell_formula_units_Z            4
_cell_volume                     286.140
_database_code_amcsd             0001891
_diffrn_ambient_pressure         4.7e+06
_exptl_crystal_density_diffrn    3.762
_cod_original_formula_sum        'Si Al2 O5'
_cod_database_code               9001835
Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure Sample: at P = 0.0 GPa, in air
Yang, H.; Downs, R. T.; Finger, L. W.; Hazen, R. M.; Prewitt, C. T.; American Mineralogist 82 (1997) 467–474; doi:

data_9001836
_publ_section_title
;
 Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure
 Sample: at P = 0.0 GPa, in air
;
_journal_name_full               'American Mineralogist'
_journal_page_first              467
_journal_page_last               474
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Al2 O5 Si'
_chemical_name_mineral           Kyanite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.974
_cell_angle_beta                 101.117
_cell_angle_gamma                106.000
_cell_length_a                   7.1200
_cell_length_b                   7.8479
_cell_length_c                   5.5738
_cell_formula_units_Z            4
_cell_volume                     293.306
_database_code_amcsd             0001892
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    3.670
_cod_original_formula_sum        'Al2 Si O5'
_cod_database_code               9001836
Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure Sample: at P = 1.35 GPa
Yang, H.; Downs, R. T.; Finger, L. W.; Hazen, R. M.; Prewitt, C. T.; American Mineralogist 82 (1997) 467–474; doi:

data_9001837
_publ_section_title
;
 Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure
 Sample: at P = 1.35 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              467
_journal_page_last               474
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Al2 O5 Si'
_chemical_name_mineral           Kyanite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.023
_cell_angle_beta                 101.112
_cell_angle_gamma                106.001
_cell_length_a                   7.1038
_cell_length_b                   7.8305
_cell_length_c                   5.5605
_cell_formula_units_Z            4
_cell_volume                     291.282
_database_code_amcsd             0001893
_diffrn_ambient_pressure         1.35e+06
_exptl_crystal_density_diffrn    3.695
_cod_original_formula_sum        'Al2 Si O5'
_cod_database_code               9001837
Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure Sample: at P = 2.54 GPa
Yang, H.; Downs, R. T.; Finger, L. W.; Hazen, R. M.; Prewitt, C. T.; American Mineralogist 82 (1997) 467–474; doi:

data_9001838
_publ_section_title
;
 Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure
 Sample: at P = 2.54 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              467
_journal_page_last               474
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Al2 O5 Si'
_chemical_name_mineral           Kyanite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.031
_cell_angle_beta                 101.098
_cell_angle_gamma                105.987
_cell_length_a                   7.0896
_cell_length_b                   7.8173
_cell_length_c                   5.5497
_cell_formula_units_Z            4
_cell_volume                     289.680
_database_code_amcsd             0001894
_diffrn_ambient_pressure         2.54e+06
_exptl_crystal_density_diffrn    3.716
_cod_original_formula_sum        'Al2 Si O5'
_cod_database_code               9001838
Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure Sample: at P = 3.73 GPa
Yang, H.; Downs, R. T.; Finger, L. W.; Hazen, R. M.; Prewitt, C. T.; American Mineralogist 82 (1997) 467–474; doi:

data_9001839
_publ_section_title
;
 Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure
 Sample: at P = 3.73 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              467
_journal_page_last               474
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Al2 O5 Si'
_chemical_name_mineral           Kyanite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.063
_cell_angle_beta                 101.091
_cell_angle_gamma                105.985
_cell_length_a                   7.0750
_cell_length_b                   7.8027
_cell_length_c                   5.5367
_cell_formula_units_Z            4
_cell_volume                     287.868
_database_code_amcsd             0001895
_diffrn_ambient_pressure         3.73e+06
_exptl_crystal_density_diffrn    3.739
_cod_original_formula_sum        'Al2 Si O5'
_cod_database_code               9001839
Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure Sample: at P = 4.56 GPa
Yang, H.; Downs, R. T.; Finger, L. W.; Hazen, R. M.; Prewitt, C. T.; American Mineralogist 82 (1997) 467–474; doi:

data_9001840
_publ_section_title
;
 Compressibility and crystal structure of kyanite, Al2SiO5, at high pressure
 Sample: at P = 4.56 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              467
_journal_page_last               474
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Al2 O5 Si'
_chemical_name_mineral           Kyanite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.089
_cell_angle_beta                 101.085
_cell_angle_gamma                105.982
_cell_length_a                   7.0648
_cell_length_b                   7.7926
_cell_length_c                   5.5299
_cell_formula_units_Z            4
_cell_volume                     286.732
_database_code_amcsd             0001896
_diffrn_ambient_pressure         4.56e+06
_exptl_crystal_density_diffrn    3.754
_cod_original_formula_sum        'Al2 Si O5'
_cod_database_code               9001840
Rietveld refinement of Ca2TiSiO6 perovskite
Leinenweber, K.; Parise, J. B.; American Mineralogist 82 (1997) 475–478; doi:

data_9001841
_publ_section_title
;
 Rietveld refinement of Ca2TiSiO6 perovskite
;
_journal_name_full               'American Mineralogist'
_journal_page_first              475
_journal_page_last               478
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Ca2 O6 Si Ti'
_chemical_name_mineral           Ca2TiSiO6
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.4105
_cell_length_b                   7.4105
_cell_length_c                   7.4105
_cell_formula_units_Z            4
_cell_volume                     406.951
_database_code_amcsd             0001897
_exptl_crystal_density_diffrn    4.115
_cod_original_formula_sum        'Ca2 Ti Si O6'
_cod_database_code               9001841
_amcsd_formula_title             Ca2TiSiO6
Incorporation of rare earth elements in titanite: Stabilization of the A2/a dimorph by creation of antiphase boundaries Sample: natural
Hughes, J. M.; Bloodaxe, E. S.; Hanchar, J. M.; Foord, E. E.; American Mineralogist 82 (1997) 512–516; doi:

data_9001842
_publ_section_title
;
 Incorporation of rare earth elements in titanite: Stabilization of the A2/a
 dimorph by creation of antiphase boundaries
 Sample: natural
;
_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           15
_symmetry_space_group_name_Hall  '-A 2ya'
_symmetry_space_group_name_H-M   'A 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.629
_cell_angle_gamma                90
_cell_length_a                   7.0425
_cell_length_b                   8.7155
_cell_length_c                   6.5376
_cell_formula_units_Z            4
_cell_volume                     367.628
_database_code_amcsd             0001898
_exptl_crystal_density_diffrn    3.542
_cod_original_formula_sum        'Ti Ca Si O5'
_cod_database_code               9001842
Incorporation of rare earth elements in titanite: Stabilization of the A2/a dimorph by creation of antiphase boundaries Sample: La-Al
Hughes, J. M.; Bloodaxe, E. S.; Hanchar, J. M.; Foord, E. E.; American Mineralogist 82 (1997) 512–516; doi:

data_9001843
_publ_section_title
;
 Incorporation of rare earth elements in titanite: Stabilization of the A2/a
 dimorph by creation of antiphase boundaries
 Sample: La-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           15
_symmetry_space_group_name_Hall  '-A 2ya'
_symmetry_space_group_name_H-M   'A 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.712
_cell_angle_gamma                90
_cell_length_a                   7.0348
_cell_length_b                   8.7119
_cell_length_c                   6.5498
_cell_formula_units_Z            4
_cell_volume                     367.526
_database_code_amcsd             0001899
_exptl_crystal_density_diffrn    3.543
_cod_original_formula_sum        'Ti Ca Si O5'
_cod_database_code               9001843
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_9001844
_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           15
_symmetry_space_group_name_Hall  '-A 2ya'
_symmetry_space_group_name_H-M   'A 1 2/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.6813
_cell_angle_gamma                90
_cell_length_a                   7.0280
_cell_length_b                   8.7025
_cell_length_c                   6.5434
_cell_formula_units_Z            4
_cell_volume                     366.502
_exptl_crystal_density_diffrn    3.553
_cod_original_cell_volume        366.503
_cod_original_formula_sum        'Ti Ca Si O5'
_cod_database_code               9001844