LMucko/crystallography-open-database huggingface dataset:
Magnetic phase diagram of SmMn1-xFexO3 substitutional system
Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik; Physica B 660 (2023) 414850–; doi:10.1016/j.physb.2023.414850

data_1570045
_publ_author_name
'Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik'
_publ_contact_author_address
'Institute of Experimental Physics SAS, Watsonova 44, Kosice, Slovakia'
_publ_contact_author_name        'Matus Mihalik'
_publ_section_title
;
 Magnetic phase diagram of SmMn1-xFexO3 substitutional system
;
_journal_coden_ASTM              PhysB
_journal_name_full               'Physica B'
_journal_page_first              414850
_journal_paper_doi               10.1016/j.physb.2023.414850
_journal_volume                  660
_journal_year                    2023
_chemical_formula_sum            'Fe2.8 Mn1.2 O12 Sm4'
_chemical_formula_weight         1015.72
_chemical_name_common            SmMn0.3Fe0.7O3
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            1
_cell_length_a                   5.6078(10)
_cell_length_b                   7.6752(10)
_cell_length_c                   5.3910(10)
_cell_measurement_temperature    296
_cell_measurement_theta_max      100
_cell_measurement_theta_min      20
_cell_volume                     232.03(7)
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.5
_diffrn_measurement_device_type  Panalytical
_diffrn_measurement_method       \q/2'\q
_diffrn_radiation_detector       dTEX
_diffrn_radiation_source         'X-ray tube'
_diffrn_reflns_number            119
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    7.270
_exptl_crystal_description       powder
_geom_angle                      92.1792(5)
_geom_angle_atom_site_label_1    O1
_geom_angle_atom_site_label_2    Mn1
_geom_angle_atom_site_label_3    O2
_geom_bond_atom_site_label_1     O1
_geom_bond_atom_site_label_2     Mn1
_geom_bond_distance              1.9705(3)
_refine_ls_goodness_of_fit_all   0.5935
_refine_ls_R_I_factor            0.0293
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            SmMn03Fe07O3.cif
_cod_data_source_block           13K
_cod_original_cell_volume        232.033950
_cod_original_formula_sum        'Fe2.8 Mn1.2 Sm4 O12'
_cod_database_code               1570045
Magnetic phase diagram of SmMn1-xFexO3 substitutional system
Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik; Physica B 660 (2023) 414850–; doi:10.1016/j.physb.2023.414850

data_1570046
_publ_author_name
'Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik'
_publ_contact_author_address
'Institute of Experimental Physics SAS, Watsonova 44, Kosice, Slovakia'
_publ_contact_author_name        'Matus Mihalik'
_publ_section_title
;
 Magnetic phase diagram of SmMn1-xFexO3 substitutional system
;
_journal_coden_ASTM              PhysB
_journal_name_full               'Physica B'
_journal_page_first              414850
_journal_paper_doi               10.1016/j.physb.2023.414850
_journal_volume                  660
_journal_year                    2023
_chemical_formula_sum            'Fe2.4 Mn1.6 O12 Sm4'
_chemical_formula_weight         1015.36
_chemical_name_common            SmMn0.4Fe0.6O3
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            1
_cell_length_a                   5.6113(10)
_cell_length_b                   7.6652(10)
_cell_length_c                   5.3893(10)
_cell_measurement_temperature    296
_cell_measurement_theta_max      100
_cell_measurement_theta_min      20
_cell_volume                     231.80(7)
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.5
_diffrn_measurement_device_type  Panalytical
_diffrn_measurement_method       \q/2'\q
_diffrn_radiation_detector       dTEX
_diffrn_radiation_source         'X-ray tube'
_diffrn_reflns_number            129
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    7.275
_exptl_crystal_description       powder
_geom_angle                      90.712(5)
_geom_angle_atom_site_label_1    O1
_geom_angle_atom_site_label_2    Mn1
_geom_angle_atom_site_label_3    O2
_geom_bond_atom_site_label_1     O1
_geom_bond_atom_site_label_2     Mn1
_geom_bond_distance              1.9779(3)
_refine_ls_goodness_of_fit_all   0.510
_refine_ls_R_I_factor            0.0251
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            SmMn04Fe06O3.cif
_cod_data_source_block           13K
_cod_original_cell_volume        231.803154
_cod_original_formula_sum        'Fe02.4 Mn1.6 Sm4 O12'
_cod_database_code               1570046
Magnetic phase diagram of SmMn1-xFexO3 substitutional system
Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik; Physica B 660 (2023) 414850–; doi:10.1016/j.physb.2023.414850

data_1570047
_publ_author_name
'Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik'
_publ_contact_author_address
'Institute of Experimental Physics SAS, Watsonova 44, Kosice, Slovakia'
_publ_contact_author_name        'Matus Mihalik'
_publ_section_title
;
 Magnetic phase diagram of SmMn1-xFexO3 substitutional system
;
_journal_coden_ASTM              PhysB
_journal_name_full               'Physica B'
_journal_page_first              414850
_journal_paper_doi               10.1016/j.physb.2023.414850
_journal_volume                  660
_journal_year                    2023
_chemical_formula_sum            'Fe2 Mn2 O12 Sm4'
_chemical_formula_weight         1015
_chemical_name_common            SmMn0.5Fe0.5O3
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            1
_cell_length_a                   5.6211(10)
_cell_length_b                   7.6525(10)
_cell_length_c                   5.3858(10)
_cell_measurement_temperature    296
_cell_measurement_theta_max      100
_cell_measurement_theta_min      20
_cell_volume                     231.67(7)
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.5
_diffrn_measurement_device_type  Panalytical
_diffrn_measurement_method       \q/2'\q
_diffrn_radiation_detector       dTEX
_diffrn_radiation_source         'X-ray tube'
_diffrn_reflns_number            129
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    7.277
_exptl_crystal_description       powder
_geom_angle                      91.3171(5)
_geom_angle_atom_site_label_1    O1
_geom_angle_atom_site_label_2    Mn1
_geom_angle_atom_site_label_3    O2
_geom_bond_atom_site_label_1     O1
_geom_bond_atom_site_label_2     Mn1
_geom_bond_distance              1.9654(3)
_refine_ls_goodness_of_fit_all   0.482
_refine_ls_R_I_factor            0.0235
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            SmMn05Fe05O3.cif
_cod_data_source_block           13K
_cod_original_cell_volume        231.672704
_cod_original_formula_sum        'Fe2 Mn2 Sm4 O12'
_cod_database_code               1570047
Magnetic phase diagram of SmMn1-xFexO3 substitutional system
Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik; Physica B 660 (2023) 414850–; doi:10.1016/j.physb.2023.414850

data_1570048
_publ_author_name
'Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik'
_publ_contact_author_address
'Institute of Experimental Physics SAS, Watsonova 44, Kosice, Slovakia'
_publ_contact_author_name        'Matus Mihalik'
_publ_section_title
;
 Magnetic phase diagram of SmMn1-xFexO3 substitutional system
;
_journal_coden_ASTM              PhysB
_journal_name_full               'Physica B'
_journal_page_first              414850
_journal_paper_doi               10.1016/j.physb.2023.414850
_journal_volume                  660
_journal_year                    2023
_chemical_formula_sum            'Fe1.6 Mn2.4 O12 Sm4'
_chemical_formula_weight         1014.64
_chemical_name_common            SmMn0.6Fe0.4O3
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            1
_cell_length_a                   5.6544(10)
_cell_length_b                   7.6247(10)
_cell_length_c                   5.3782(10)
_cell_measurement_temperature    296
_cell_measurement_theta_max      56
_cell_measurement_theta_min      20
_cell_volume                     231.87(7)
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.5
_diffrn_measurement_device_type  Panalytical
_diffrn_measurement_method       \q/2'\q
_diffrn_radiation_detector       dTEX
_diffrn_radiation_source         'X-ray tube'
_diffrn_reflns_number            31
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    7.268
_exptl_crystal_description       powder
_geom_angle                      91.8914(5)
_geom_angle_atom_site_label_1    O1
_geom_angle_atom_site_label_2    Mn1
_geom_angle_atom_site_label_3    O2
_geom_bond_atom_site_label_1     O1
_geom_bond_atom_site_label_2     Mn1
_geom_bond_distance              1.9650(3)
_refine_ls_goodness_of_fit_all   1.346
_refine_ls_R_I_factor            0.018
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            SmMn06Fe04O3.cif
_cod_data_source_block           13K
_cod_original_cell_volume        231.870893
_cod_original_formula_sum        'Fe01.6 Mn2.4 Sm4 O12'
_cod_database_code               1570048
Magnetic phase diagram of SmMn1-xFexO3 substitutional system
Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik; Physica B 660 (2023) 414850–; doi:10.1016/j.physb.2023.414850

data_1570049
_publ_author_name
'Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik'
_publ_contact_author_address
'Institute of Experimental Physics SAS, Watsonova 44, Kosice, Slovakia'
_publ_contact_author_name        'Matus Mihalik'
_publ_section_title
;
 Magnetic phase diagram of SmMn1-xFexO3 substitutional system
;
_journal_coden_ASTM              PhysB
_journal_name_full               'Physica B'
_journal_page_first              414850
_journal_paper_doi               10.1016/j.physb.2023.414850
_journal_volume                  660
_journal_year                    2023
_chemical_formula_sum            'Fe1.2 Mn2.8 O12 Sm4'
_chemical_formula_weight         1014.27
_chemical_name_common            SmMn0.7Fe0.3O3
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            1
_cell_length_a                   5.6797(10)
_cell_length_b                   7.6039(10)
_cell_length_c                   5.3739(10)
_cell_measurement_temperature    296
_cell_measurement_theta_max      100
_cell_measurement_theta_min      20
_cell_volume                     232.09(7)
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.5
_diffrn_measurement_device_type  Panalytical
_diffrn_measurement_method       \q/2'\q
_diffrn_radiation_detector       dTEX
_diffrn_radiation_source         'X-ray tube'
_diffrn_reflns_number            131
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    7.259
_exptl_crystal_description       powder
_geom_angle                      91.1455(5)
_geom_angle_atom_site_label_1    O1
_geom_angle_atom_site_label_2    Mn1
_geom_angle_atom_site_label_3    O2
_geom_bond_atom_site_label_1     O1
_geom_bond_atom_site_label_2     Mn1
_geom_bond_distance              1.9523(3)
_refine_ls_goodness_of_fit_all   0.5233
_refine_ls_R_I_factor            0.02537
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            SmMn07Fe03O3.cif
_cod_data_source_block           13K
_cod_original_cell_volume        232.087291
_cod_original_formula_sum        'Fe01.2 Mn2.8 Sm4 O12'
_cod_database_code               1570049
Magnetic phase diagram of SmMn1-xFexO3 substitutional system
Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik; Physica B 660 (2023) 414850–; doi:10.1016/j.physb.2023.414850

data_1570050
_publ_author_name
'Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik'
_publ_contact_author_address
'Institute of Experimental Physics SAS, Watsonova 44, Kosice, Slovakia'
_publ_contact_author_name        'Matus Mihalik'
_publ_section_title
;
 Magnetic phase diagram of SmMn1-xFexO3 substitutional system
;
_journal_coden_ASTM              PhysB
_journal_name_full               'Physica B'
_journal_page_first              414850
_journal_paper_doi               10.1016/j.physb.2023.414850
_journal_volume                  660
_journal_year                    2023
_chemical_formula_sum            'Fe0.8 Mn3.2 O12 Sm4'
_chemical_formula_weight         1013.91
_chemical_name_common            SmMn0.8Fe0.2O3
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            1
_cell_length_a                   5.7234(10)
_cell_length_b                   7.5626(10)
_cell_length_c                   5.3666(10)
_cell_measurement_temperature    296
_cell_measurement_theta_max      100
_cell_measurement_theta_min      20
_cell_volume                     232.29(7)
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.5
_diffrn_measurement_device_type  Panalytical
_diffrn_measurement_method       \q/2'\q
_diffrn_radiation_detector       dTEX
_diffrn_radiation_source         'X-ray tube'
_diffrn_reflns_number            131
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    7.249
_exptl_crystal_description       powder
_geom_angle                      89.1823(5)
_geom_angle_atom_site_label_1    O1
_geom_angle_atom_site_label_2    Mn1
_geom_angle_atom_site_label_3    O2
_geom_bond_atom_site_label_1     O1
_geom_bond_atom_site_label_2     Mn1
_geom_bond_distance              1.9603(3)
_refine_ls_goodness_of_fit_all   0.5233
_refine_ls_R_I_factor            0.0260
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            SmMn08Fe02O3.cif
_cod_data_source_block           13K
_cod_original_cell_volume        232.286770
_cod_original_formula_sum        'Fe0.8 Mn3.2 Sm4 O12'
_cod_database_code               1570050
Magnetic phase diagram of SmMn1-xFexO3 substitutional system
Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik; Physica B 660 (2023) 414850–; doi:10.1016/j.physb.2023.414850

data_1570051
_publ_author_name
'Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik'
_publ_contact_author_address
'Institute of Experimental Physics SAS, Watsonova 44, Kosice, Slovakia'
_publ_contact_author_name        'Matus Mihalik'
_publ_section_title
;
 Magnetic phase diagram of SmMn1-xFexO3 substitutional system
;
_journal_coden_ASTM              PhysB
_journal_name_full               'Physica B'
_journal_page_first              414850
_journal_paper_doi               10.1016/j.physb.2023.414850
_journal_volume                  660
_journal_year                    2023
_chemical_formula_sum            'Fe0.4 Mn3.6 O12 Sm4'
_chemical_formula_weight         1013.55
_chemical_name_common            SmMn0.9Fe0.1O3
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            1
_cell_length_a                   5.7153(10)
_cell_length_b                   7.5566(10)
_cell_length_c                   5.3667(10)
_cell_measurement_temperature    296
_cell_measurement_theta_max      100
_cell_measurement_theta_min      20
_cell_volume                     231.78(7)
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.5
_diffrn_measurement_device_type  Panalytical
_diffrn_measurement_method       \q/2'\q
_diffrn_radiation_detector       dTEX
_diffrn_radiation_source         'X-ray tube'
_diffrn_reflns_number            131
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    7.263
_exptl_crystal_description       powder
_geom_angle                      86.1682(5)
_geom_angle_atom_site_label_1    O1
_geom_angle_atom_site_label_2    Mn1
_geom_angle_atom_site_label_3    O2
_geom_bond_atom_site_label_1     O1
_geom_bond_atom_site_label_2     Mn1
_geom_bond_distance              1.9504(3)
_refine_ls_goodness_of_fit_all   0.485
_refine_ls_R_I_factor            0.023
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            SmMn09Fe01O3.cif
_cod_data_source_block           13K
_cod_original_cell_volume        231.778320
_cod_original_formula_sum        'Fe0.4 Mn3.6 Sm4 O12'
_cod_database_code               1570051
Magnetic phase diagram of SmMn1-xFexO3 substitutional system
Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik; Physica B 660 (2023) 414850–; doi:10.1016/j.physb.2023.414850

data_1570052
_publ_author_name
'Matus Mihalik, Martin Vavra, Zuzana Molcanova, Jaroslav Briancin, Marian Mihalik'
_publ_contact_author_address
'Institute of Experimental Physics SAS, Watsonova 44, Kosice, Slovakia'
_publ_contact_author_name        'Matus Mihalik'
_publ_section_title
;
 Magnetic phase diagram of SmMn1-xFexO3 substitutional system
;
_journal_coden_ASTM              PhysB
_journal_name_full               'Physica B'
_journal_page_first              414850
_journal_paper_doi               10.1016/j.physb.2023.414850
_journal_volume                  660
_journal_year                    2023
_chemical_formula_sum            'Mn O3 Sm'
_chemical_formula_weight         253.29
_chemical_name_common            SmMnO3
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_cell_setting           orthorhombic
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            4
_cell_length_a                   5.7865(10)
_cell_length_b                   7.5149(10)
_cell_length_c                   5.3648(10)
_cell_measurement_temperature    296
_cell_measurement_theta_max      100
_cell_measurement_theta_min      20
_cell_volume                     233.29(7)
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.5
_diffrn_measurement_device_type  Panalytical
_diffrn_measurement_method       \q/2'\q
_diffrn_radiation_detector       dTEX
_diffrn_radiation_source         'X-ray tube'
_diffrn_reflns_number            132
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    7.214
_exptl_crystal_description       powder
_geom_angle                      90.1895(5)
_geom_angle_atom_site_label_1    O1
_geom_angle_atom_site_label_2    Mn1
_geom_angle_atom_site_label_3    O2
_geom_bond_atom_site_label_1     O1
_geom_bond_atom_site_label_2     Mn1
_geom_bond_distance              1.9220(3)
_refine_ls_goodness_of_fit_all   0.6728
_refine_ls_R_I_factor            0.0343
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            SmMnO3.cif
_cod_data_source_block           13K
_cod_depositor_comments
;

2025-07-10
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_weight         1013.18
_cod_original_formula_units_Z            1
_cod_original_cell_volume        233.288165
_cod_original_formula_sum        'Mn4 Sm4 O12'
_cod_database_code               1570052
Kiryuite and gunmaite, two new minerals from Tsukubara, Kiryu City, Gunma Prefecture, Japan
Nishio-Hamane, D.; Yajima, T.; Ikari, I.; Ohki, Y.; Hori, H.; Ohara, Y.; Journal of Mineralogical and Petrological Sciences  (2023) 1–12; doi:10.2465/jmps.230605

data_1570107
_publ_section_title
;
 Kiryuite and gunmaite, two new minerals from Tsukubara, Kiryu City, Gunma
 Prefecture, Japan
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              1
_journal_page_last               12
_journal_paper_doi               10.2465/jmps.230605
_journal_volume                  118:019
_journal_year                    2023
_chemical_formula_sum
'Al9.82 Ba0.68 Ca0.01 F16.21 H9.79 Mg0.74 Na1.72 O25.79 P3.99 Sr2.02'
_chemical_name_common
(Na1.72Sr0.70Mg0.56Ca0.01)(Sr1.32Ba0.68)(Al9.82Mg0.18)P3.99O16F16.21(OH)9.79
_chemical_name_mineral           gunmaite
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                120.000000
_cell_formula_units_Z            3
_cell_length_a                   6.9972(2)
_cell_length_b                   6.9972(2)
_cell_length_c                   50.270(2)
_cell_volume                     2131.51(12)
_diffrn_ambient_pressure         100
_diffrn_ambient_temperature      298
_cod_data_source_file            gunmaite.cif
_cod_data_source_block           gunmaite
_cod_original_cell_volume        2131.51
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum
'Na1.72 Sr2.02 Mg0.74 Ca0.01 Ba0.68 Al9.82 P3.99 O25.79 F16.21 H9.79'
_cod_database_code               1570107
Pressure-induced phase transition of oxygen defective perovskite srebrodolskite Ca2Fe2O5 @ 12.6 GPa
Kuwamura, R.; Takagi, S.; Kyono, A.; Journal of Mineralogical and Petrological Sciences  (2023) 1–9; doi:10.2465/jmps.230422

data_1570108
_publ_section_title
;
 Pressure-induced phase transition of oxygen defective perovskite
 srebrodolskite Ca2Fe2O5 @ 12.6 GPa
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              1
_journal_page_last               9
_journal_paper_doi               10.2465/jmps.230422
_journal_volume                  118:017
_journal_year                    2023
_chemical_formula_sum            'Ca2 Fe2 O5'
_chemical_name_common            'Ca2Fe2O5 high-pressure phase at 12.6 GPa'
_chemical_name_mineral           'high-pressure form of srebrodolskite'
_space_group_IT_number           33
_space_group_name_Hall           'P -2ac -2n'
_space_group_name_H-M_alt        'P n 21 a'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                90.000000
_cell_formula_units_Z            4
_cell_length_a                   5.2289(4)
_cell_length_b                   14.2548(9)
_cell_length_c                   5.4291(4)
_cell_volume                     404.67(5)
_diffrn_ambient_pressure         126000100
_diffrn_ambient_temperature      298
_cod_data_source_file            Ca2Fe2O5-Pn21a.cif
_cod_data_source_block           Ca2Fe2O5
_cod_original_cell_volume        404.67(2)
_cod_database_code               1570108