LMucko/crystallography-open-database huggingface dataset:
Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa Sample: at P = 4.2 GPa Note: cell parameters obtained by linear regression
Zhang, L.; Ahsbahs, H.; Hafner, S. S.; Kutoglu, A.; American Mineralogist 82 (1997) 245–258; doi:

data_9001810
_publ_section_title
;Single-crystal compression and crystal structure of clinopyroxene up to 10
 GPa Sample: at P = 4.2 GPa Note: cell parameters obtained by linear
 regression
;
_journal_name_full               'American Mineralogist'
_journal_page_first              245
_journal_page_last               258
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Ca Fe O6 Si2'
_chemical_name_mineral           Hedenbergite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.18
_cell_angle_gamma                90
_cell_length_a                   9.744
_cell_length_b                   8.889
_cell_length_c                   5.181
_cell_formula_units_Z            4
_cell_volume                     435.076
_database_code_amcsd             0001866
_diffrn_ambient_pressure         4.2e+06
_exptl_crystal_density_diffrn    3.788
_cod_original_formula_sum        'Ca Fe Si2 O6'
_cod_database_code               9001810
Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa Sample: at P = 4.6 GPa Note: cell parameters obtained by linear regression
Zhang, L.; Ahsbahs, H.; Hafner, S. S.; Kutoglu, A.; American Mineralogist 82 (1997) 245–258; doi:

data_9001811
_publ_section_title
;Single-crystal compression and crystal structure of clinopyroxene up to 10
 GPa Sample: at P = 4.6 GPa Note: cell parameters obtained by linear
 regression
;
_journal_name_full               'American Mineralogist'
_journal_page_first              245
_journal_page_last               258
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Ca Fe O6 Si2'
_chemical_name_mineral           Hedenbergite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.14
_cell_angle_gamma                90
_cell_length_a                   9.737
_cell_length_b                   8.877
_cell_length_c                   5.176
_cell_formula_units_Z            4
_cell_volume                     433.834
_database_code_amcsd             0001867
_diffrn_ambient_pressure         4.6e+06
_exptl_crystal_density_diffrn    3.798
_cod_original_formula_sum        'Ca Fe Si2 O6'
_cod_database_code               9001811
Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa Sample: at P = 5.3 GPa Note: cell parameters obtained by linear regression
Zhang, L.; Ahsbahs, H.; Hafner, S. S.; Kutoglu, A.; American Mineralogist 82 (1997) 245–258; doi:

data_9001812
_publ_section_title
;Single-crystal compression and crystal structure of clinopyroxene up to 10
 GPa Sample: at P = 5.3 GPa Note: cell parameters obtained by linear
 regression
;
_journal_name_full               'American Mineralogist'
_journal_page_first              245
_journal_page_last               258
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Ca Fe O6 Si2'
_chemical_name_mineral           Hedenbergite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.14
_cell_angle_gamma                90
_cell_length_a                   9.724
_cell_length_b                   8.856
_cell_length_c                   5.168
_cell_formula_units_Z            4
_cell_volume                     431.562
_database_code_amcsd             0001868
_diffrn_ambient_pressure         5.3e+06
_exptl_crystal_density_diffrn    3.818
_cod_original_formula_sum        'Ca Fe Si2 O6'
_cod_database_code               9001812
Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa Sample: at P = 6.3 GPa Note: cell parameters obtained by linear regression
Zhang, L.; Ahsbahs, H.; Hafner, S. S.; Kutoglu, A.; American Mineralogist 82 (1997) 245–258; doi:

data_9001813
_publ_section_title
;Single-crystal compression and crystal structure of clinopyroxene up to 10
 GPa Sample: at P = 6.3 GPa Note: cell parameters obtained by linear
 regression
;
_journal_name_full               'American Mineralogist'
_journal_page_first              245
_journal_page_last               258
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Ca Fe O6 Si2'
_chemical_name_mineral           Hedenbergite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.99
_cell_angle_gamma                90
_cell_length_a                   9.707
_cell_length_b                   8.827
_cell_length_c                   5.156
_cell_formula_units_Z            4
_cell_volume                     428.681
_database_code_amcsd             0001869
_diffrn_ambient_pressure         6.3e+06
_exptl_crystal_density_diffrn    3.844
_cod_original_formula_sum        'Ca Fe Si2 O6'
_cod_database_code               9001813
Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa Sample: at P = 7.6 GPa Note: cell parameters obtained by linear regression
Zhang, L.; Ahsbahs, H.; Hafner, S. S.; Kutoglu, A.; American Mineralogist 82 (1997) 245–258; doi:

data_9001814
_publ_section_title
;Single-crystal compression and crystal structure of clinopyroxene up to 10
 GPa Sample: at P = 7.6 GPa Note: cell parameters obtained by linear
 regression
;
_journal_name_full               'American Mineralogist'
_journal_page_first              245
_journal_page_last               258
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Ca Fe O6 Si2'
_chemical_name_mineral           Hedenbergite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.89
_cell_angle_gamma                90
_cell_length_a                   9.686
_cell_length_b                   8.789
_cell_length_c                   5.141
_cell_formula_units_Z            4
_cell_volume                     424.857
_database_code_amcsd             0001870
_diffrn_ambient_pressure         7.6e+06
_exptl_crystal_density_diffrn    3.879
_cod_original_formula_sum        'Ca Fe Si2 O6'
_cod_database_code               9001814
Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa Sample: at P = 8.7 GPa Note: cell parameters obtained by linear regression
Zhang, L.; Ahsbahs, H.; Hafner, S. S.; Kutoglu, A.; American Mineralogist 82 (1997) 245–258; doi:

data_9001815
_publ_section_title
;Single-crystal compression and crystal structure of clinopyroxene up to 10
 GPa Sample: at P = 8.7 GPa Note: cell parameters obtained by linear
 regression
;
_journal_name_full               'American Mineralogist'
_journal_page_first              245
_journal_page_last               258
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Ca Fe O6 Si2'
_chemical_name_mineral           Hedenbergite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.82
_cell_angle_gamma                90
_cell_length_a                   9.668
_cell_length_b                   8.756
_cell_length_c                   5.128
_cell_formula_units_Z            4
_cell_volume                     421.534
_database_code_amcsd             0001871
_diffrn_ambient_pressure         8.7e+06
_exptl_crystal_density_diffrn    3.909
_cod_original_formula_sum        'Ca Fe Si2 O6'
_cod_database_code               9001815
Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa Sample: at P = 9.9 GPa Note: cell parameters obtained by linear regression
Zhang, L.; Ahsbahs, H.; Hafner, S. S.; Kutoglu, A.; American Mineralogist 82 (1997) 245–258; doi:

data_9001816
_publ_section_title
;Single-crystal compression and crystal structure of clinopyroxene up to 10
 GPa Sample: at P = 9.9 GPa Note: cell parameters obtained by linear
 regression
;
_journal_name_full               'American Mineralogist'
_journal_page_first              245
_journal_page_last               258
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Ca Fe O6 Si2'
_chemical_name_mineral           Hedenbergite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.74
_cell_angle_gamma                90
_cell_length_a                   9.647
_cell_length_b                   8.718
_cell_length_c                   5.114
_cell_formula_units_Z            4
_cell_volume                     417.792
_database_code_amcsd             0001872
_diffrn_ambient_pressure         9.9e+06
_exptl_crystal_density_diffrn    3.944
_cod_original_formula_sum        'Ca Fe Si2 O6'
_cod_database_code               9001816
Crystal structure of monoclinic hydrous wadsleyite [beta-(Mg,Fe)2SiO4] Note: occupancies of octahedral sites are estimates
Smyth, J. R.; Kawamoto, T.; Jacobsen, S. D.; Swope, R. J.; Hervig, R. L.; Holloway, J. R.; American Mineralogist 82 (1997) 270–275; doi:

data_9001817
_publ_section_title
;
 Crystal structure of monoclinic hydrous wadsleyite [beta-(Mg,Fe)2SiO4]
 Note: occupancies of octahedral sites are estimates
;
_journal_name_full               'American Mineralogist'
_journal_page_first              270
_journal_page_last               275
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'H0.355 Mg3.44 O8 Si1.888'
_chemical_name_mineral           Wadsleyite
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y (x+1/4,y-1/4,-x+z-1/4)'
_space_group_name_H-M_alt        'C 1 2/m 1 (a+c-1/4,b+1/4,c)'
_symmetry_space_group_name_H-M   'C 1 2/m 1 (a+c-1/4,b+1/4,c)'
_cell_angle_alpha                90
_cell_angle_beta                 90.397
_cell_angle_gamma                90
_cell_length_a                   5.6715
_cell_length_b                   11.582
_cell_length_c                   8.258
_cell_formula_units_Z            4
_cell_volume                     542.433
_exptl_crystal_density_diffrn    3.245
_cod_original_sg_symbol_H-M      'I 1 2/m 1'
_cod_original_formula_sum        'Mg3.44 Si1.888 H.355 O8'
_cod_database_code               9001817
_database_code_amcsd 0001873
Natural kalsilite, KAlSiO4, with P31c symmetry: Crystal structure and twinning
Cellai, D.; Bonazzi, P.; Carpenter, M. A.; American Mineralogist 82 (1997) 276–279; doi:

data_9001818
_publ_section_title
;Natural kalsilite, KAlSiO4, with P31c symmetry: Crystal structure and
 twinning
;
_journal_name_full               'American Mineralogist'
_journal_page_first              276
_journal_page_last               279
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Al K O4 Si'
_chemical_name_mineral           Kalsilite
_space_group_IT_number           159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.157
_cell_length_b                   5.157
_cell_length_c                   8.706
_cell_formula_units_Z            2
_cell_volume                     200.513
_database_code_amcsd             0001874
_exptl_crystal_density_diffrn    2.620
_cod_original_formula_sum        'K Al Si O4'
_cod_database_code               9001818
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite Sample: Mg(100)
Della Ventura, G.; Robert, J.-L.; Raudsepp, M.; Hawthorne, F. C.; Welch, M. D.; American Mineralogist 82 (1997) 291–301; doi:

data_9001819
_publ_section_title
;Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
 refinement and infrared spectroscopy of (nickel, magnesium,
 cobalt)-richterite Sample: Mg(100)
;
_journal_name_full               'American Mineralogist'
_journal_page_first              291
_journal_page_last               301
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Ca1.05 Mg5 Na2.85 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                 104.252
_cell_angle_gamma                90
_cell_length_a                   9.9076
_cell_length_b                   17.988
_cell_length_c                   5.2706
_cell_formula_units_Z            2
_cell_volume                     910.405
_database_code_amcsd             0001875
_exptl_crystal_density_diffrn    3.056
_cod_original_formula_sum        'Si8 Mg5 Ca1.05 Na2.85 O24'
_cod_database_code               9001819
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite Sample: Ni20
Della Ventura, G.; Robert, J.-L.; Raudsepp, M.; Hawthorne, F. C.; Welch, M. D.; American Mineralogist 82 (1997) 291–301; doi:

data_9001820
_publ_section_title
;Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
 refinement and infrared spectroscopy of (nickel, magnesium,
 cobalt)-richterite Sample: Ni20
;
_journal_name_full               'American Mineralogist'
_journal_page_first              291
_journal_page_last               301
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Ca1.09 Mg4.02 Na2.73 Ni0.98 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                 104.303
_cell_angle_gamma                90
_cell_length_a                   9.9073
_cell_length_b                   17.978
_cell_length_c                   5.2669
_cell_formula_units_Z            2
_cell_volume                     909.027
_database_code_amcsd             0001876
_exptl_crystal_density_diffrn    3.180
_cod_original_formula_sum        'Si8 (Mg4.02 Ni.98) Ca1.09 Na2.73 O24'
_cod_database_code               9001820
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite Sample: Ni40
Della Ventura, G.; Robert, J.-L.; Raudsepp, M.; Hawthorne, F. C.; Welch, M. D.; American Mineralogist 82 (1997) 291–301; doi:

data_9001821
_publ_section_title
;Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
 refinement and infrared spectroscopy of (nickel, magnesium,
 cobalt)-richterite Sample: Ni40
;
_journal_name_full               'American Mineralogist'
_journal_page_first              291
_journal_page_last               301
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Ca1.12 Mg2.96 Na2.64 Ni2.04 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                 104.361
_cell_angle_gamma                90
_cell_length_a                   9.9024
_cell_length_b                   17.965
_cell_length_c                   5.2603
_cell_formula_units_Z            2
_cell_volume                     906.548
_database_code_amcsd             0001877
_exptl_crystal_density_diffrn    3.319
_cod_original_formula_sum        'Si8 (Mg2.96 Ni2.04) Ca1.12 Na2.64 O24'
_cod_database_code               9001821
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite Sample: Ni60
Della Ventura, G.; Robert, J.-L.; Raudsepp, M.; Hawthorne, F. C.; Welch, M. D.; American Mineralogist 82 (1997) 291–301; doi:

data_9001822
_publ_section_title
;Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
 refinement and infrared spectroscopy of (nickel, magnesium,
 cobalt)-richterite Sample: Ni60
;
_journal_name_full               'American Mineralogist'
_journal_page_first              291
_journal_page_last               301
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Ca1.07 Mg1.95 Na2.79 Ni3.05 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                   9.8956
_cell_length_b                   17.948
_cell_length_c                   5.2567
_cell_formula_units_Z            2
_cell_volume                     904.238
_database_code_amcsd             0001878
_exptl_crystal_density_diffrn    3.460
_cod_original_cell_volume        904.239
_cod_original_formula_sum        'Si8 (Mg1.95 Ni3.05) Ca1.07 Na2.79 O24'
_cod_database_code               9001822
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite Sample: Ni80
Della Ventura, G.; Robert, J.-L.; Raudsepp, M.; Hawthorne, F. C.; Welch, M. D.; American Mineralogist 82 (1997) 291–301; doi:

data_9001823
_publ_section_title
;Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
 refinement and infrared spectroscopy of (nickel, magnesium,
 cobalt)-richterite Sample: Ni80
;
_journal_name_full               'American Mineralogist'
_journal_page_first              291
_journal_page_last               301
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Ca Mg1.01 Na3 Ni3.99 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                 104.461
_cell_angle_gamma                90
_cell_length_a                   9.8886
_cell_length_b                   17.933
_cell_length_c                   5.2525
_cell_formula_units_Z            2
_cell_volume                     901.928
_database_code_amcsd             0001879
_exptl_crystal_density_diffrn    3.595
_cod_original_formula_sum        'Si8 (Mg1.01 Ni3.99) Ca Na3 O24'
_cod_database_code               9001823
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite Sample: Ni100
Della Ventura, G.; Robert, J.-L.; Raudsepp, M.; Hawthorne, F. C.; Welch, M. D.; American Mineralogist 82 (1997) 291–301; doi:

data_9001824
_publ_section_title
;Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
 refinement and infrared spectroscopy of (nickel, magnesium,
 cobalt)-richterite Sample: Ni100
;
_journal_name_full               'American Mineralogist'
_journal_page_first              291
_journal_page_last               301
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Ca1.02 Na2.98 Ni5 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                 104.480
_cell_angle_gamma                90
_cell_length_a                   9.8927
_cell_length_b                   17.926
_cell_length_c                   5.2534
_cell_formula_units_Z            2
_cell_volume                     902.027
_database_code_amcsd             0001880
_exptl_crystal_density_diffrn    3.724
_cod_original_formula_sum        'Si8 Ni5 Ca1.02 Na2.98 O24'
_cod_database_code               9001824
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite Sample: Co20
Della Ventura, G.; Robert, J.-L.; Raudsepp, M.; Hawthorne, F. C.; Welch, M. D.; American Mineralogist 82 (1997) 291–301; doi:

data_9001825
_publ_section_title
;Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
 refinement and infrared spectroscopy of (nickel, magnesium,
 cobalt)-richterite Sample: Co20
;
_journal_name_full               'American Mineralogist'
_journal_page_first              291
_journal_page_last               301
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Ca1.1 Co1.09 Mg3.91 Na2.72 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                 104.246
_cell_angle_gamma                90
_cell_length_a                   9.9180
_cell_length_b                   17.999
_cell_length_c                   5.2714
_cell_formula_units_Z            2
_cell_volume                     912.081
_database_code_amcsd             0001881
_exptl_crystal_density_diffrn    3.184
_cod_original_formula_sum        'Si8 (Mg3.91 Co1.09) Ca1.1 Na2.72 O24'
_cod_database_code               9001825
Site occupancies in synthetic monoclinic amphiboles: Rietveld structure refinement and infrared spectroscopy of (nickel, magnesium, cobalt)-richterite Sample: Co40
Della Ventura, G.; Robert, J.-L.; Raudsepp, M.; Hawthorne, F. C.; Welch, M. D.; American Mineralogist 82 (1997) 291–301; doi:

data_9001826
_publ_section_title
;Site occupancies in synthetic monoclinic amphiboles: Rietveld structure
 refinement and infrared spectroscopy of (nickel, magnesium,
 cobalt)-richterite Sample: Co40
;
_journal_name_full               'American Mineralogist'
_journal_page_first              291
_journal_page_last               301
_journal_volume                  82
_journal_year                    1997
_chemical_formula_sum            'Ca1.1 Co2.15 Mg2.85 Na2.66 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                 104.245
_cell_angle_gamma                90
_cell_length_a                   9.9312
_cell_length_b                   18.015
_cell_length_c                   5.2731
_cell_formula_units_Z            2
_cell_volume                     914.406
_database_code_amcsd             0001882
_exptl_crystal_density_diffrn    3.305
_cod_original_formula_sum        'Si8 (Mg2.85 Co2.15) Ca1.1 Na2.66 O24'
_cod_database_code               9001826