LMucko/crystallography-open-database huggingface dataset:
Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 31.64 GPa
Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.; American Mineralogist 97 (2012) 176–183; doi:

data_9016883
_publ_section_title
;
 Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O
 ferropericlase up to 58 GPa at 300, 700, and 1100 K
 Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 31.64 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              176
_journal_page_last               183
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe0.17 Mg0.83 O'
_chemical_name_mineral           Periclase
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_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                   4.0689
_cell_length_b                   4.0689
_cell_length_c                   4.0689
_cell_formula_units_Z            4
_cell_volume                     67.364
_database_code_amcsd             0020812
_diffrn_ambient_pressure         3.164e+07
_diffrn_ambient_temperature      1100
_exptl_crystal_density_diffrn    4.503
_cod_data_source_file            inputs/fixed/downloads/05/05230.cif
_cod_data_source_block           05230
_cod_original_cell_volume        67.365
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        '(Mg.83 Fe.17) O'
_cod_database_code               9016883
Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 35.29 GPa
Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.; American Mineralogist 97 (2012) 176–183; doi:

data_9016884
_publ_section_title
;
 Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O
 ferropericlase up to 58 GPa at 300, 700, and 1100 K
 Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 35.29 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              176
_journal_page_last               183
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe0.17 Mg0.83 O'
_chemical_name_mineral           Periclase
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_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                   4.0515
_cell_length_b                   4.0515
_cell_length_c                   4.0515
_cell_formula_units_Z            4
_cell_volume                     66.504
_database_code_amcsd             0020813
_diffrn_ambient_pressure         3.529e+07
_diffrn_ambient_temperature      1100
_exptl_crystal_density_diffrn    4.561
_cod_data_source_file            inputs/fixed/downloads/05/05231.cif
_cod_data_source_block           05231
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        '(Mg.83 Fe.17) O'
_cod_database_code               9016884
Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 38.72 GPa
Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.; American Mineralogist 97 (2012) 176–183; doi:

data_9016885
_publ_section_title
;
 Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O
 ferropericlase up to 58 GPa at 300, 700, and 1100 K
 Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 38.72 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              176
_journal_page_last               183
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe0.17 Mg0.83 O'
_chemical_name_mineral           Periclase
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_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                   4.0352
_cell_length_b                   4.0352
_cell_length_c                   4.0352
_cell_formula_units_Z            4
_cell_volume                     65.705
_database_code_amcsd             0020814
_diffrn_ambient_pressure         3.872e+07
_diffrn_ambient_temperature      1100
_exptl_crystal_density_diffrn    4.616
_cod_data_source_file            inputs/fixed/downloads/05/05232.cif
_cod_data_source_block           05232
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        '(Mg.83 Fe.17) O'
_cod_database_code               9016885
Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 41.10 GPa
Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.; American Mineralogist 97 (2012) 176–183; doi:

data_9016886
_publ_section_title
;
 Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O
 ferropericlase up to 58 GPa at 300, 700, and 1100 K
 Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 41.10 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              176
_journal_page_last               183
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe0.17 Mg0.83 O'
_chemical_name_mineral           Periclase
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_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                   4.0244
_cell_length_b                   4.0244
_cell_length_c                   4.0244
_cell_formula_units_Z            4
_cell_volume                     65.178
_database_code_amcsd             0020815
_diffrn_ambient_pressure         4.11e+07
_diffrn_ambient_temperature      1100
_exptl_crystal_density_diffrn    4.654
_cod_data_source_file            inputs/fixed/downloads/05/05233.cif
_cod_data_source_block           05233
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        '(Mg.83 Fe.17) O'
_cod_database_code               9016886
Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 43.63 GPa
Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.; American Mineralogist 97 (2012) 176–183; doi:

data_9016887
_publ_section_title
;
 Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O
 ferropericlase up to 58 GPa at 300, 700, and 1100 K
 Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 43.63 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              176
_journal_page_last               183
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe0.17 Mg0.83 O'
_chemical_name_mineral           Periclase
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_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                   4.0122
_cell_length_b                   4.0122
_cell_length_c                   4.0122
_cell_formula_units_Z            4
_cell_volume                     64.587
_database_code_amcsd             0020816
_diffrn_ambient_pressure         4.363e+07
_diffrn_ambient_temperature      1100
_exptl_crystal_density_diffrn    4.696
_cod_data_source_file            inputs/fixed/downloads/05/05234.cif
_cod_data_source_block           05234
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        '(Mg.83 Fe.17) O'
_cod_database_code               9016887
Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 47.43 GPa
Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.; American Mineralogist 97 (2012) 176–183; doi:

data_9016888
_publ_section_title
;
 Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O
 ferropericlase up to 58 GPa at 300, 700, and 1100 K
 Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 47.43 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              176
_journal_page_last               183
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe0.17 Mg0.83 O'
_chemical_name_mineral           Periclase
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_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                   3.9972
_cell_length_b                   3.9972
_cell_length_c                   3.9972
_cell_formula_units_Z            4
_cell_volume                     63.866
_database_code_amcsd             0020817
_diffrn_ambient_pressure         4.743e+07
_diffrn_ambient_temperature      1100
_exptl_crystal_density_diffrn    4.749
_cod_data_source_file            inputs/fixed/downloads/05/05235.cif
_cod_data_source_block           05235
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        '(Mg.83 Fe.17) O'
_cod_database_code               9016888
Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 51.42 GPa
Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.; American Mineralogist 97 (2012) 176–183; doi:

data_9016889
_publ_section_title
;
 Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O
 ferropericlase up to 58 GPa at 300, 700, and 1100 K
 Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 51.42 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              176
_journal_page_last               183
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe0.17 Mg0.83 O'
_chemical_name_mineral           Periclase
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_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                   3.9786
_cell_length_b                   3.9786
_cell_length_c                   3.9786
_cell_formula_units_Z            4
_cell_volume                     62.978
_database_code_amcsd             0020818
_diffrn_ambient_pressure         5.142e+07
_diffrn_ambient_temperature      1100
_exptl_crystal_density_diffrn    4.816
_cod_data_source_file            inputs/fixed/downloads/05/05236.cif
_cod_data_source_block           05236
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        '(Mg.83 Fe.17) O'
_cod_database_code               9016889
Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O ferropericlase up to 58 GPa at 300, 700, and 1100 K Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 55.52 GPa
Matsui, M.; Ito, E.; Yamazaki, D.; Yoshino, T.; Guo, X.; Shan, S.; Higo, Y.; Funakoshi, F. I.; American Mineralogist 97 (2012) 176–183; doi:

data_9016890
_publ_section_title
;
 Static compression of (Mg0.83,Fe0.17)O and (Mg0.75,Fe0.25)O
 ferropericlase up to 58 GPa at 300, 700, and 1100 K
 Note: (Mg0.75,Fe0.25)O, T = 1100 K, P = 55.52 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              176
_journal_page_last               183
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe0.17 Mg0.83 O'
_chemical_name_mineral           Periclase
_space_group_IT_number           225
_space_group_name_Hall           '-F 4 2 3'
_space_group_name_H-M_alt        'F m -3 m'
_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                   3.9602
_cell_length_b                   3.9602
_cell_length_c                   3.9602
_cell_formula_units_Z            4
_cell_volume                     62.109
_database_code_amcsd             0020819
_diffrn_ambient_pressure         5.552e+07
_diffrn_ambient_temperature      1100
_exptl_crystal_density_diffrn    4.884
_cod_data_source_file            inputs/fixed/downloads/05/05237.cif
_cod_data_source_block           05237
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        '(Mg.83 Fe.17) O'
_cod_database_code               9016890
Redetermination of structure of 5C pyrrhotite at low temperature and at room temperature T = 120 K
Liles, D. C.; de Villiers, J. P. R.; American Mineralogist 97 (2012) 257–261; doi:

data_9016891
_publ_section_title
;
 Redetermination of structure of 5C pyrrhotite at low
 temperature and at room temperature
 T = 120 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              257
_journal_page_last               261
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Silberberg mine, Bodenmais, Germany'
_chemical_formula_sum            'Fe4.509 S5'
_chemical_name_mineral           Pyrrhotite
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 119.975
_cell_angle_gamma                90
_cell_length_a                   6.8673
_cell_length_b                   28.6536
_cell_length_c                   6.8592
_cell_formula_units_Z            8
_cell_volume                     1169.173
_database_code_amcsd             0020728
_diffrn_ambient_temperature      120
_exptl_crystal_density_diffrn    4.683
_cod_data_source_file            inputs/fixed/downloads/05/05241.cif
_cod_data_source_block           05241
_cod_database_code               9016891
Redetermination of structure of 5C pyrrhotite at low temperature and at room temperature T = 293 K
Liles, D. C.; de Villiers, J. P. R.; American Mineralogist 97 (2012) 257–261; doi:

data_9016892
_publ_section_title
;
 Redetermination of structure of 5C pyrrhotite at low
 temperature and at room temperature
 T = 293 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              257
_journal_page_last               261
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Silberberg mine, Bodenmais, Germany'
_chemical_formula_sum            'Fe4.51 S5'
_chemical_name_mineral           Pyrrhotite
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 119.956
_cell_angle_gamma                90
_cell_length_a                   6.8984
_cell_length_b                   28.695
_cell_length_c                   6.8915
_cell_formula_units_Z            8
_cell_volume                     1181.929
_database_code_amcsd             0020729
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    4.633
_cod_data_source_file            inputs/fixed/downloads/05/05242.cif
_cod_data_source_block           05242
_cod_database_code               9016892
Redetermination of structure of 5C pyrrhotite at low temperature and at room temperature T = 293 K
Liles, D. C.; de Villiers, J. P. R.; American Mineralogist 97 (2012) 257–261; doi:

data_9016893
_publ_section_title
;
 Redetermination of structure of 5C pyrrhotite at low
 temperature and at room temperature
 T = 293 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              257
_journal_page_last               261
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Copper Cliff mine, Sudbury, Canada'
_chemical_formula_sum            'Fe4.503 S5'
_chemical_name_mineral           Pyrrhotite
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 120.048
_cell_angle_gamma                90
_cell_length_a                   6.893
_cell_length_b                   28.643
_cell_length_c                   6.899
_cell_formula_units_Z            8
_cell_volume                     1179.053
_database_code_amcsd             0020730
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    4.640
_cod_data_source_file            inputs/fixed/downloads/05/05243.cif
_cod_data_source_block           05243
_cod_database_code               9016893
Combined neutron and X-ray diffraction determination of disorder in doped zirconolite-2M Note: CaZrTi2O7
Whittle, K. R.; Hyatt, N. C.; Smith, K. L.; Margiolaki, I.; Berry, F. J.; Knight, K. S.; Lumpkin, G. R.; American Mineralogist 97 (2012) 291–298; doi:

data_9016894
_publ_section_title
;
 Combined neutron and X-ray diffraction determination
 of disorder in doped zirconolite-2M
 Note: CaZrTi2O7
;
_journal_name_full               'American Mineralogist'
_journal_page_first              291
_journal_page_last               298
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca2 O14 Ti4 Zr2'
_chemical_name_mineral           Zirconolite
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.56430
_cell_angle_gamma                90
_cell_length_a                   12.443024
_cell_length_b                   7.272901
_cell_length_c                   11.380867
_cell_formula_units_Z            4
_cell_volume                     1012.475
_database_code_amcsd             0020827
_exptl_crystal_density_diffrn    4.449
_cod_data_source_file            inputs/fixed/downloads/05/05246.cif
_cod_data_source_block           05246
_cod_original_formula_sum        'Ca2 Zr2 Ti4 O14'
_cod_database_code               9016894
Combined neutron and X-ray diffraction determination of disorder in doped zirconolite-2M Note: CaZrTiFe0.5Nb0.5O7
Whittle, K. R.; Hyatt, N. C.; Smith, K. L.; Margiolaki, I.; Berry, F. J.; Knight, K. S.; Lumpkin, G. R.; American Mineralogist 97 (2012) 291–298; doi:

data_9016895
_publ_section_title
;
 Combined neutron and X-ray diffraction determination
 of disorder in doped zirconolite-2M
 Note: CaZrTiFe0.5Nb0.5O7
;
_journal_name_full               'American Mineralogist'
_journal_page_first              291
_journal_page_last               298
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca2 Fe Nb0.99 O14 Ti2.01 Zr2'
_chemical_name_mineral           Stefanweissite
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.60200
_cell_angle_gamma                90
_cell_length_a                   12.527951
_cell_length_b                   7.304224
_cell_length_c                   11.426725
_cell_formula_units_Z            4
_cell_volume                     1027.775
_database_code_amcsd             0020828
_exptl_crystal_density_diffrn    4.722
_cod_data_source_file            inputs/fixed/downloads/05/05247.cif
_cod_data_source_block           05247
_cod_original_formula_sum        'Ca2 Zr2 Ti2.01 Fe Nb.99 O14'
_cod_database_code               9016895
Combined neutron and X-ray diffraction determination of disorder in doped zirconolite-2M Note: CaZrFeNbO7, model 1
Whittle, K. R.; Hyatt, N. C.; Smith, K. L.; Margiolaki, I.; Berry, F. J.; Knight, K. S.; Lumpkin, G. R.; American Mineralogist 97 (2012) 291–298; doi:

data_9016896
_publ_section_title
;
 Combined neutron and X-ray diffraction determination
 of disorder in doped zirconolite-2M
 Note: CaZrFeNbO7, model 1
;
_journal_name_full               'American Mineralogist'
_journal_page_first              291
_journal_page_last               298
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca2 Fe2 Nb2 O14 Zr2'
_chemical_name_mineral           Laachite
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.66950
_cell_angle_gamma                90
_cell_length_a                   12.670281
_cell_length_b                   7.378349
_cell_length_c                   11.525772
_cell_formula_units_Z            4
_cell_volume                     1058.867
_database_code_amcsd             0020829
_exptl_crystal_density_diffrn    4.919
_cod_data_source_file            inputs/fixed/downloads/05/05248.cif
_cod_data_source_block           05248
_cod_original_formula_sum        'Ca2 Zr2 Fe2 Nb2 O14'
_cod_database_code               9016896
Combined neutron and X-ray diffraction determination of disorder in doped zirconolite-2M Note: CaZrFeNbO7, model 2
Whittle, K. R.; Hyatt, N. C.; Smith, K. L.; Margiolaki, I.; Berry, F. J.; Knight, K. S.; Lumpkin, G. R.; American Mineralogist 97 (2012) 291–298; doi:

data_9016897
_publ_section_title
;
 Combined neutron and X-ray diffraction determination
 of disorder in doped zirconolite-2M
 Note: CaZrFeNbO7, model 2
;
_journal_name_full               'American Mineralogist'
_journal_page_first              291
_journal_page_last               298
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca2 Fe2 Nb2 O14 Zr2'
_chemical_name_mineral           Laachite
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.66950
_cell_angle_gamma                90
_cell_length_a                   12.670281
_cell_length_b                   7.378349
_cell_length_c                   11.525772
_cell_formula_units_Z            4
_cell_volume                     1058.867
_database_code_amcsd             0020830
_exptl_crystal_density_diffrn    4.919
_cod_data_source_file            inputs/fixed/downloads/05/05249.cif
_cod_data_source_block           05249
_cod_original_formula_sum        'Ca2 Zr2 Nb2 Fe2 O14'
_cod_database_code               9016897