LMucko/crystallography-open-database huggingface dataset:
Crystal chemistry of hydrous forsterite and its vibrational properties up to 41 GPa Locality: synthetic Sample: Anhydrous Fo100
Hushur, A.; Manghnani, M. H.; Smyth, J. R.; Nestola, F.; Frost, D. J.; American Mineralogist 94 (2009) 751–760; doi:10.2138/am.2009.2990

data_9013639
_publ_section_title
;Crystal chemistry of hydrous forsterite and its vibrational properties up to
 41 GPa Locality: synthetic Sample: Anhydrous Fo100
;
_journal_name_full               'American Mineralogist'
_journal_page_first              751
_journal_page_last               760
_journal_paper_doi               10.2138/am.2009.2990
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg1.997 O4 Si0.995'
_chemical_name_mineral           Forsterite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7552
_cell_length_b                   10.1985
_cell_length_c                   5.9822
_cell_formula_units_Z            4
_cell_volume                     290.112
_database_code_amcsd             0004936
_exptl_crystal_density_diffrn    3.216
_cod_original_formula_sum        'Mg1.997 Si.995 O4'
_cod_database_code               9013639
Crystal chemistry of hydrous forsterite and its vibrational properties up to 41 GPa Locality: synthetic Sample: SZ0408A
Hushur, A.; Manghnani, M. H.; Smyth, J. R.; Nestola, F.; Frost, D. J.; American Mineralogist 94 (2009) 751–760; doi:10.2138/am.2009.2990

data_9013640
_publ_section_title
;Crystal chemistry of hydrous forsterite and its vibrational properties up to
 41 GPa Locality: synthetic Sample: SZ0408A
;
_journal_name_full               'American Mineralogist'
_journal_page_first              751
_journal_page_last               760
_journal_paper_doi               10.2138/am.2009.2990
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg1.984 O4 Si0.994'
_chemical_name_mineral           Forsterite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7545
_cell_length_b                   10.2068
_cell_length_c                   5.9863
_cell_formula_units_Z            4
_cell_volume                     290.505
_database_code_amcsd             0004937
_exptl_crystal_density_diffrn    3.204
_cod_original_formula_sum        'Mg1.984 Si.994 O4'
_cod_database_code               9013640
Crystal chemistry of hydrous forsterite and its vibrational properties up to 41 GPa Locality: synthetic Sample: SZ0408B
Hushur, A.; Manghnani, M. H.; Smyth, J. R.; Nestola, F.; Frost, D. J.; American Mineralogist 94 (2009) 751–760; doi:10.2138/am.2009.2990

data_9013641
_publ_section_title
;Crystal chemistry of hydrous forsterite and its vibrational properties up to
 41 GPa Locality: synthetic Sample: SZ0408B
;
_journal_name_full               'American Mineralogist'
_journal_page_first              751
_journal_page_last               760
_journal_paper_doi               10.2138/am.2009.2990
_journal_volume                  94
_journal_year                    2009
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg1.99 O4 Si0.993'
_chemical_name_mineral           Forsterite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.7547
_cell_length_b                   10.20416
_cell_length_c                   5.98494
_cell_formula_units_Z            4
_cell_volume                     290.376
_database_code_amcsd             0004938
_exptl_crystal_density_diffrn    3.208
_cod_original_formula_sum        'Mg1.99 Si.993 O4'
_cod_database_code               9013641
Inverse spinel structure of Co-doped gahnite Note: Sample S0, inversion parameter = 0, ZnAl2O4
Popovic, J.; Tkalcec, E.; Grzeta, B.; Kurajica, S.; Rakvin, B.; American Mineralogists 94 (2009) 771–776; doi:10.2138/am.2009.3173

data_9013642
_publ_section_title
;
 Inverse spinel structure of Co-doped gahnite
 Note: Sample S0, inversion parameter = 0, ZnAl2O4
;
_journal_name_full               'American Mineralogists'
_journal_page_first              771
_journal_page_last               776
_journal_paper_doi               10.2138/am.2009.3173
_journal_volume                  94
_journal_year                    2009
_chemical_formula_sum            'Al2 O4 Zn'
_chemical_name_mineral           Gahnite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.0854
_cell_length_b                   8.0854
_cell_length_c                   8.0854
_cell_formula_units_Z            8
_cell_volume                     528.572
_database_code_amcsd             0004939
_exptl_crystal_density_diffrn    4.608
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Zn Al2 O4'
_cod_database_code               9013642
Inverse spinel structure of Co-doped gahnite Note: Sample S1, inversion parameter = .037, (Zn.96Co.04)Al2O4
Popovic, J.; Tkalcec, E.; Grzeta, B.; Kurajica, S.; Rakvin, B.; American Mineralogists 94 (2009) 771–776; doi:10.2138/am.2009.3173

data_9013643
_publ_section_title
;
 Inverse spinel structure of Co-doped gahnite
 Note: Sample S1, inversion parameter = .037, (Zn.96Co.04)Al2O4
;
_journal_name_full               'American Mineralogists'
_journal_page_first              771
_journal_page_last               776
_journal_paper_doi               10.2138/am.2009.3173
_journal_volume                  94
_journal_year                    2009
_chemical_formula_sum            'Al2 Co0.04 O4 Zn0.96'
_chemical_name_mineral           Gahnite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.0863
_cell_length_b                   8.0863
_cell_length_c                   8.0863
_cell_formula_units_Z            8
_cell_volume                     528.749
_database_code_amcsd             0004940
_exptl_crystal_density_diffrn    4.600
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Zn.96 Co.04 Al2 O4'
_cod_database_code               9013643
Inverse spinel structure of Co-doped gahnite Note: Sample S2, inversion parameter = .051, (Zn.92Co.08)Al2O4
Popovic, J.; Tkalcec, E.; Grzeta, B.; Kurajica, S.; Rakvin, B.; American Mineralogists 94 (2009) 771–776; doi:10.2138/am.2009.3173

data_9013644
_publ_section_title
;
 Inverse spinel structure of Co-doped gahnite
 Note: Sample S2, inversion parameter = .051, (Zn.92Co.08)Al2O4
;
_journal_name_full               'American Mineralogists'
_journal_page_first              771
_journal_page_last               776
_journal_paper_doi               10.2138/am.2009.3173
_journal_volume                  94
_journal_year                    2009
_chemical_formula_sum            'Al2 Co0.08 O4 Zn0.92'
_chemical_name_mineral           Gahnite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.0883
_cell_length_b                   8.0883
_cell_length_c                   8.0883
_cell_formula_units_Z            8
_cell_volume                     529.141
_database_code_amcsd             0004941
_exptl_crystal_density_diffrn    4.590
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Zn.92 Co.08 Al2 O4'
_cod_database_code               9013644
Inverse spinel structure of Co-doped gahnite Note: Sample S3, inversion parameter = .054, (Zn.88Co.12)Al2O4
Popovic, J.; Tkalcec, E.; Grzeta, B.; Kurajica, S.; Rakvin, B.; American Mineralogists 94 (2009) 771–776; doi:10.2138/am.2009.3173

data_9013645
_publ_section_title
;
 Inverse spinel structure of Co-doped gahnite
 Note: Sample S3, inversion parameter = .054, (Zn.88Co.12)Al2O4
;
_journal_name_full               'American Mineralogists'
_journal_page_first              771
_journal_page_last               776
_journal_paper_doi               10.2138/am.2009.3173
_journal_volume                  94
_journal_year                    2009
_chemical_formula_sum            'Al2 Co0.12 O4 Zn0.88'
_chemical_name_mineral           Gahnite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.0897
_cell_length_b                   8.0897
_cell_length_c                   8.0897
_cell_formula_units_Z            8
_cell_volume                     529.416
_database_code_amcsd             0004942
_exptl_crystal_density_diffrn    4.581
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Zn.88 Co.12 Al2 O4'
_cod_database_code               9013645
Inverse spinel structure of Co-doped gahnite Note: Sample S4, inversion parameter = .070, (Zn.75Co.25)Al2O4
Popovic, J.; Tkalcec, E.; Grzeta, B.; Kurajica, S.; Rakvin, B.; American Mineralogists 94 (2009) 771–776; doi:10.2138/am.2009.3173

data_9013646
_publ_section_title
;
 Inverse spinel structure of Co-doped gahnite
 Note: Sample S4, inversion parameter = .070, (Zn.75Co.25)Al2O4
;
_journal_name_full               'American Mineralogists'
_journal_page_first              771
_journal_page_last               776
_journal_paper_doi               10.2138/am.2009.3173
_journal_volume                  94
_journal_year                    2009
_chemical_formula_sum            'Al2 Co0.25 O4 Zn0.75'
_chemical_name_mineral           Gahnite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.0914
_cell_length_b                   8.0914
_cell_length_c                   8.0914
_cell_formula_units_Z            8
_cell_volume                     529.750
_database_code_amcsd             0004943
_exptl_crystal_density_diffrn    4.557
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Zn.75 Co.25 Al2 O4'
_cod_database_code               9013646
Inverse spinel structure of Co-doped gahnite Note: Sample S6, inversion parameter = .095, (Zn.5Co.5)Al2O4
Popovic, J.; Tkalcec, E.; Grzeta, B.; Kurajica, S.; Rakvin, B.; American Mineralogists 94 (2009) 771–776; doi:10.2138/am.2009.3173

data_9013647
_publ_section_title
;
 Inverse spinel structure of Co-doped gahnite
 Note: Sample S6, inversion parameter = .095, (Zn.5Co.5)Al2O4
;
_journal_name_full               'American Mineralogists'
_journal_page_first              771
_journal_page_last               776
_journal_paper_doi               10.2138/am.2009.3173
_journal_volume                  94
_journal_year                    2009
_chemical_formula_sum            'Al2 Co0.5 O4 Zn0.5'
_chemical_name_mineral           Gahnite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.0928
_cell_length_b                   8.0928
_cell_length_c                   8.0928
_cell_formula_units_Z            8
_cell_volume                     530.025
_database_code_amcsd             0004944
_exptl_crystal_density_diffrn    4.515
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Zn.5 Co.5 Al2 O4'
_cod_database_code               9013647
Inverse spinel structure of Co-doped gahnite Note: Sample S8, inversion parameter = .150, (Zn.25Co.75)Al2O4
Popovic, J.; Tkalcec, E.; Grzeta, B.; Kurajica, S.; Rakvin, B.; American Mineralogists 94 (2009) 771–776; doi:10.2138/am.2009.3173

data_9013648
_publ_section_title
;
 Inverse spinel structure of Co-doped gahnite
 Note: Sample S8, inversion parameter = .150, (Zn.25Co.75)Al2O4
;
_journal_name_full               'American Mineralogists'
_journal_page_first              771
_journal_page_last               776
_journal_paper_doi               10.2138/am.2009.3173
_journal_volume                  94
_journal_year                    2009
_chemical_formula_structural     (Zn.25Co.75)Al2O4
_chemical_formula_sum            'Al2 Co0.75 O4 Zn0.25'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.0945
_cell_length_b                   8.0945
_cell_length_c                   8.0945
_cell_formula_units_Z            8
_cell_volume                     530.359
_database_code_amcsd             0004945
_exptl_crystal_density_diffrn    4.471
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Zn.25 Co.75 Al2 O4'
_cod_database_code               9013648
_amcsd_formula_title             (Zn.25Co.75)Al2O4
Inverse spinel structure of Co-doped gahnite Note: Sample S10, inversion parameter = .248, CoAl2O4
Popovic, J.; Tkalcec, E.; Grzeta, B.; Kurajica, S.; Rakvin, B.; American Mineralogists 94 (2009) 771–776; doi:10.2138/am.2009.3173

data_9013649
_publ_section_title
;
 Inverse spinel structure of Co-doped gahnite
 Note: Sample S10, inversion parameter = .248, CoAl2O4
;
_journal_name_full               'American Mineralogists'
_journal_page_first              771
_journal_page_last               776
_journal_paper_doi               10.2138/am.2009.3173
_journal_volume                  94
_journal_year                    2009
_chemical_formula_sum            'Al2 Co O4'
_chemical_name_mineral           CoAl2O4
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.1005
_cell_length_b                   8.1005
_cell_length_c                   8.1005
_cell_formula_units_Z            8
_cell_volume                     531.539
_database_code_amcsd             0004946
_exptl_crystal_density_diffrn    4.421
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Co Al2) O4'
_cod_database_code               9013649
_amcsd_formula_title             CoAl2O4
Cs-exchange in birnessite: Reaction mechanisms inferred from time-resolved X-ray diffraction and transmission electron microscopy Note: Solution concentration 0.001 M Note: Occupancies of the Oint sites are undetermined, O is used only as a scatterer
Lopano, C. L.; Heaney, P. J.; Post, J. E.; American Mineralogist 94 (2009) 816–826; doi:10.2138/am.2009.3068

data_9013650
_publ_section_title
;Cs-exchange in birnessite: Reaction mechanisms inferred from time-resolved
 X-ray diffraction and transmission electron microscopy Note: Solution
 concentration 0.001 M Note: Occupancies of the Oint sites are undetermined, O
 is used only as a scatterer
;
_journal_name_full               'American Mineralogist'
_journal_page_first              816
_journal_page_last               826
_journal_paper_doi               10.2138/am.2009.3068
_journal_volume                  94
_journal_year                    2009
_chemical_formula_sum            'H4.108 Mn O4.054'
_chemical_name_mineral           Birnessite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90.310
_cell_angle_beta                 101.559
_cell_angle_gamma                89.944
_cell_formula_units_Z            2
_cell_length_a                   5.1342
_cell_length_b                   2.8469
_cell_length_c                   7.4815
_cell_volume                     107.134
_database_code_amcsd             0004947
_exptl_crystal_density_diffrn    3.714
_cod_database_code               9013650
Cs-exchange in birnessite: Reaction mechanisms inferred from time-resolved X-ray diffraction and transmission electron microscopy Note: Solution concentration 0.01 M Note: Occupancies of the Oint sites are undetermined, O is used only as a scatterer
Lopano, C. L.; Heaney, P. J.; Post, J. E.; American Mineralogist 94 (2009) 816–826; doi:10.2138/am.2009.3068

data_9013651
_publ_section_title
;Cs-exchange in birnessite: Reaction mechanisms inferred from time-resolved
 X-ray diffraction and transmission electron microscopy Note: Solution
 concentration 0.01 M Note: Occupancies of the Oint sites are undetermined, O
 is used only as a scatterer
;
_journal_name_full               'American Mineralogist'
_journal_page_first              816
_journal_page_last               826
_journal_paper_doi               10.2138/am.2009.3068
_journal_volume                  94
_journal_year                    2009
_chemical_formula_sum            'H4.344 Mn O4.172'
_chemical_name_mineral           Birnessite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90.12
_cell_angle_beta                 101.395
_cell_angle_gamma                89.958
_cell_formula_units_Z            2
_cell_length_a                   5.1298
_cell_length_b                   2.8445
_cell_length_c                   7.5029
_cell_volume                     107.322
_database_code_amcsd             0004948
_exptl_crystal_density_diffrn    3.766
_cod_database_code               9013651
Cs-exchange in birnessite: Reaction mechanisms inferred from time-resolved X-ray diffraction and transmission electron microscopy Note: Solution concentration 0.05 M Note: Occupancies of the Oint sites are undetermined, O is used only as a scatterer
Lopano, C. L.; Heaney, P. J.; Post, J. E.; American Mineralogist 94 (2009) 816–826; doi:10.2138/am.2009.3068

data_9013652
_publ_section_title
;Cs-exchange in birnessite: Reaction mechanisms inferred from time-resolved
 X-ray diffraction and transmission electron microscopy Note: Solution
 concentration 0.05 M Note: Occupancies of the Oint sites are undetermined, O
 is used only as a scatterer
;
_journal_name_full               'American Mineralogist'
_journal_page_first              816
_journal_page_last               826
_journal_paper_doi               10.2138/am.2009.3068
_journal_volume                  94
_journal_year                    2009
_chemical_formula_sum            'H4.424 Mn O4.212'
_chemical_name_mineral           Birnessite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                89.94
_cell_angle_beta                 101.561
_cell_angle_gamma                89.997
_cell_formula_units_Z            2
_cell_length_a                   5.1349
_cell_length_b                   2.8465
_cell_length_c                   7.5135
_cell_volume                     107.593
_database_code_amcsd             0004949
_exptl_crystal_density_diffrn    3.776
_cod_database_code               9013652
X-ray diffraction and Raman spectroscopic study of clinopyroxenes with six-coordinated Si in the Na(Mg0.5Si0.5)Si2O6 - NaAlSi2O6 system Note: Sample J1
Yang, H.; Konzett, J.; Frost, D. J.; Downs, R. T.; American Mineralogist 94 (2009) 942–949; doi:10.2138/am.2009.3084

data_9013653
_publ_section_title
;X-ray diffraction and Raman spectroscopic study of clinopyroxenes with
 six-coordinated Si in the Na(Mg0.5Si0.5)Si2O6 - NaAlSi2O6 system Note: Sample
 J1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              942
_journal_page_last               949
_journal_paper_doi               10.2138/am.2009.3084
_journal_volume                  94
_journal_year                    2009
_chemical_formula_structural     (Na.98Mg.02)(Mg.51Si.49)Si2O6
_chemical_formula_sum            'Mg0.52 Na0.98 O6 Si2.98'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.142
_cell_angle_gamma                90
_cell_length_a                   9.4051
_cell_length_b                   8.6436
_cell_length_c                   5.2679
_cell_formula_units_Z            4
_cell_volume                     406.959
_database_code_amcsd             0004950
_exptl_crystal_density_diffrn    3.507
_cod_original_formula_sum        'Na.98 Mg.52 Si2.98 O6'
_cod_database_code               9013653
_amcsd_formula_title             (Na.98Mg.02)(Mg.51Si.49)Si2O6
X-ray diffraction and Raman spectroscopic study of clinopyroxenes with six-coordinated Si in the Na(Mg0.5Si0.5)Si2O6 - NaAlSi2O6 system Note: Sample J2
Yang, H.; Konzett, J.; Frost, D. J.; Downs, R. T.; American Mineralogist 94 (2009) 942–949; doi:10.2138/am.2009.3084

data_9013654
_publ_section_title
;X-ray diffraction and Raman spectroscopic study of clinopyroxenes with
 six-coordinated Si in the Na(Mg0.5Si0.5)Si2O6 - NaAlSi2O6 system Note: Sample
 J2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              942
_journal_page_last               949
_journal_paper_doi               10.2138/am.2009.3084
_journal_volume                  94
_journal_year                    2009
_chemical_formula_structural     Na(Mg.45Al.10Si.45)Si2O6
_chemical_formula_sum            'Mg0.494 Na0.968 O12 Si4.487'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.050
_cell_angle_gamma                90
_cell_length_a                   9.3957
_cell_length_b                   8.6262
_cell_length_c                   5.2588
_cell_formula_units_Z            2
_cell_volume                     405.246
_database_code_amcsd             0004951
_exptl_crystal_density_diffrn    2.887
_cod_original_formula_sum        'Na.968 Mg.494 Si4.487 O12'
_cod_database_code               9013654
_amcsd_formula_title             Na(Mg.45Al.10Si.45)Si2O6