LMucko/crystallography-open-database huggingface dataset:
Facile band gap tuning in graphene brucite heterojunctions
Gianfranco Ulian; Giovanni Valdrè; Scientific Reports 13 (2023) 23090–; doi:

data_3000461
_publ_section_title
;
 Facile band gap tuning in graphene brucite heterojunctions
;
_journal_name_full               'Scientific Reports'
_journal_page_first              23090
_journal_volume                  13
_journal_year                    2023
_chemical_formula_sum            'C8 H5 Al Mg2 O6'
_chemical_formula_weight         272.720
_chemical_name_common            'Al-bearing Brucite Graphene heterojunction'
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                120.000000
_cell_formula_units_Z            1
_cell_length_a                   5.024170
_cell_length_b                   5.024170
_cell_length_c                   39.295700
_cell_measurement_pressure       0
_cell_measurement_temperature    0
_cell_volume                     859.022
_computing_structure_refinement  QuantumATK
_computing_structure_solution    QuantumATK
_diffrn_ambient_pressure         0
_diffrn_ambient_temperature      0
_exptl_crystal_density_diffrn    0
_cod_data_source_file            HJ_BG_data_2.cif
_cod_data_source_block           BAlG-L_t01
_cod_depositor_comments
'Releasing structure 3000461 into public domain as published material.'
_cod_original_cell_volume        859.022028
_cod_original_formula_sum        'Mg2 Al O6 H5 C8'
_cod_database_code               3000461
Facile band gap tuning in graphene brucite heterojunctions
Gianfranco Ulian; Giovanni Valdrè; Scientific Reports 13 (2023) 23090–; doi:

data_3000462
_publ_section_title
;
 Facile band gap tuning in graphene brucite heterojunctions
;
_journal_name_full               'Scientific Reports'
_journal_page_first              23090
_journal_volume                  13
_journal_year                    2023
_chemical_formula_sum            'C8 H5 Al Mg2 O6'
_chemical_formula_weight         272.720
_chemical_name_common            'Al-bearing Brucite Graphene heterojunction'
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                120.000000
_cell_formula_units_Z            1
_cell_length_a                   5.031720
_cell_length_b                   5.031720
_cell_length_c                   39.178001
_cell_measurement_pressure       0
_cell_measurement_temperature    0
_cell_volume                     859.025
_computing_structure_refinement  QuantumATK
_computing_structure_solution    QuantumATK
_diffrn_ambient_pressure         0
_diffrn_ambient_temperature      0
_exptl_crystal_density_diffrn    0
_cod_data_source_file            HJ_BG_data_2.cif
_cod_data_source_block           BAlG-L_t02
_cod_depositor_comments
'Releasing structure 3000462 into public domain as published material.'
_cod_original_cell_volume        859.025130
_cod_original_formula_sum        'Mg2 Al O6 H5 C8'
_cod_database_code               3000462
Facile band gap tuning in graphene brucite heterojunctions
Gianfranco Ulian; Giovanni Valdrè; Scientific Reports 13 (2023) 23090–; doi:

data_3000463
_publ_section_title
;
 Facile band gap tuning in graphene brucite heterojunctions
;
_journal_name_full               'Scientific Reports'
_journal_page_first              23090
_journal_volume                  13
_journal_year                    2023
_chemical_formula_sum            'C8 H5 Al Mg2 O6'
_chemical_formula_weight         272.720
_chemical_name_common            'Al-bearing Brucite Graphene heterojunction'
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_cell_angle_alpha                90.000000
_cell_angle_beta                 90.000000
_cell_angle_gamma                120.000000
_cell_formula_units_Z            1
_cell_length_a                   5.031940
_cell_length_b                   5.031940
_cell_length_c                   39.171398
_cell_measurement_pressure       0
_cell_measurement_temperature    0
_cell_volume                     858.955
_computing_structure_refinement  QuantumATK
_computing_structure_solution    QuantumATK
_diffrn_ambient_pressure         0
_diffrn_ambient_temperature      0
_exptl_crystal_density_diffrn    0
_cod_data_source_file            HJ_BG_data_2.cif
_cod_data_source_block           BAlG-L_t03
_cod_depositor_comments
'Releasing structure 3000463 into public domain as published material.'
_cod_original_cell_volume        858.955392
_cod_original_formula_sum        'Mg2 Al O6 H5 C8'
_cod_database_code               3000463
Preparation et structure cristalline d'un nouveau bis-diphosphate de bismuth et de sodium Na5 Bi (P2 O7)2
Boughzala, H. Jouini, T.; Journal of Solid State Chemistry 143 (1999) 104–; doi:

data_1569839
_publ_author_name                'Boughzala, H. Jouini, T.'
_publ_section_title
;
 Preparation et structure cristalline d'un nouveau bis-diphosphate de
 bismuth et de sodium Na5 Bi (P2 O7)2
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              104
_journal_volume                  143
_journal_year                    1999
_chemical_formula_structural     'Na5 Bi (P2 O7)2'
_chemical_formula_sum            'Bi Na5 O14 P4'
_chemical_name_systematic
;
Pentasodium Bismuth Bis(diphosphate(V))
;
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2000/07/15
_audit_update_record             2006/04/01
_cell_angle_alpha                77.73(2)
_cell_angle_beta                 109.21(3)
_cell_angle_gamma                97.92(2)
_cell_formula_units_Z            2
_cell_length_a                   9.276(3)
_cell_length_b                   9.806(3)
_cell_length_c                   7.272(1)
_cell_volume                     608.7(3)
_refine_ls_R_factor_all          0.0167
_cod_data_source_file            Na5BiP2O72.cif
_cod_data_source_block           50610-ICSD
_cod_original_cell_volume        608.71
_cod_original_formula_sum        'Bi1 Na5 O14 P4'
_cod_database_code               1569839
Twisted [C<sub>2</sub>O<sub>5</sub>]<sup>2-</sup>-groups in Ba[C<sub>2</sub>O<sub>5</sub>] pyrocarbonate.
Spahr, Dominik; Bayarjargal, Lkhamsuren; Haussühl, Eiken; Luchitskaia, Rita; Friedrich, Alexandra; Milman, Victor; Fedotenko, Timofey; Winkler, Björn; Chemical communications (Cambridge, England)  (2023) –; doi:10.1039/d3cc03324d

data_7132151
_publ_section_title
;
 Twisted [C<sub>2</sub>O<sub>5</sub>]<sup>2-</sup>-groups in
 Ba[C<sub>2</sub>O<sub>5</sub>] pyrocarbonate.
;
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_paper_doi               10.1039/d3cc03324d
_journal_year                    2023
_chemical_formula_structural     'Ba C2 O5'
_chemical_formula_sum            'C2 Ba O5'
_chemical_formula_weight         241.35
_space_group_IT_number           175
_space_group_name_Hall           '-P 6'
_space_group_name_H-M_alt        'P 6/m'
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_number      175
_symmetry_space_group_name_H-M   'P 6/m'
_audit_creation_date             2023-06-29
_audit_creation_method           'Materials Studio'
_audit_update_record
;
2023-07-03 deposited with the CCDC.	2023-09-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            12
_cell_length_a                   14.8560
_cell_length_b                   14.8560
_cell_length_c                   4.8310
_cell_volume                     923.361
_cod_data_source_file            d3cc03324d2.cif
_cod_data_source_block           BaC2O5-30GPa-DFT
_cod_original_cell_volume        923.36
_cod_original_sg_symbol_H-M      'P 6 / m'
_cod_original_formula_sum        'C2 O5 Ba1'
_cod_database_code               7132151
Exploring the crystal structure and properties of ytterbium orthoantimonate under high pressure
Garg, Alka Bansal; Lopez, Sinhue; Botella Vives, Pablo; Gomis, Oscar; Bandiello, Enrico; Osman, Hussien; Popescu, Catalin; Errandonea, Daniel; Dalton Transactions  (2023) –; doi:10.1039/D3DT02480F

data_7714041
_publ_section_title
;
 Exploring the crystal structure and properties of ytterbium
 orthoantimonate under high pressure
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT02480F
_journal_year                    2023
_chemical_formula_moiety         'O4 Sb Yb'
_chemical_formula_structural     YbSbO4
_chemical_formula_sum            'O4 Sb Yb'
_chemical_formula_weight         358.7876
_chemical_name_common            'Ytterbium orthoantimonate'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_cell_angle_alpha                90
_cell_angle_beta                 98.7780(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.5046(4)
_cell_length_b                   5.2713(4)
_cell_length_c                   7.3682(4)
_cell_measurement_pressure       100000000
_cell_measurement_reflns_used    427
_cell_measurement_temperature    298
_cell_measurement_theta_max      120
_cell_measurement_theta_min      10
_cell_volume                     288.06(3)
_diffrn_ambient_temperature      298
_diffrn_measured_fraction_theta_full 1
_diffrn_measurement_device_type  'Rigaku D/max diffractometer'
_diffrn_radiation_wavelength     1.5406
_diffrn_reflns_av_R_equivalents  0.05460
_diffrn_reflns_number            427
_exptl_absorpt_coefficient_mu    129.311
_exptl_crystal_density_diffrn    8.273
_exptl_crystal_description       powder
_exptl_crystal_F_000             612.0
_cod_data_source_file            d3dt02480f1.cif
_cod_data_source_block           YbSbO4
_cod_original_cell_volume        288.07(3)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7714041
Magnetism in PrMn0.6Fe0.4O3 compound
Matus Mihalik et al.; Journal of Magnetism and Magnetic Materials 565 (2023) 170216–; doi:10.1016/j.jmmm.2022.170216

data_1570036
_publ_author_name                'Matus Mihalik et al.'
_publ_contact_author_address
'Institute of Experimental Physics SAS, Watsonova 44, Kosice, Slovakia'
_publ_contact_author_name        'Matus Mihalik'
_publ_section_title
;
 Magnetism in PrMn0.6Fe0.4O3 compound
;
_journal_coden_ASTM              JMMM
_journal_name_full               'Journal of Magnetism and Magnetic Materials'
_journal_page_first              170216
_journal_paper_doi               10.1016/j.jmmm.2022.170216
_journal_volume                  565
_journal_year                    2023
_chemical_formula_sum            'Fe1.6 Mn2.4 O12 Pr4'
_chemical_formula_weight         976.83
_chemical_name_common            PrMn0.6Fe0.4O3
_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                   5.6967(10)
_cell_length_b                   7.6718(10)
_cell_length_c                   5.4570(10)
_cell_measurement_temperature    200
_cell_measurement_theta_max      140
_cell_measurement_theta_min      10
_cell_volume                     238.49(7)
_diffrn_ambient_temperature      200
_diffrn_measurement_device_type  E9
_diffrn_measurement_method       2\q
_diffrn_radiation_detector       PIXcel3D
_diffrn_radiation_probe          neutron
_diffrn_radiation_source         'BENSC reactor'
_diffrn_radiation_wavelength     1.798089
_diffrn_reflns_number            154
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.801
_exptl_crystal_description       powder
_geom_angle                      90.780(5)
_geom_angle_atom_site_label_1    O1
_geom_angle_atom_site_label_2    Fe1
_geom_angle_atom_site_label_3    O2
_geom_bond_atom_site_label_1     O1
_geom_bond_atom_site_label_2     Fe1
_geom_bond_distance              1.9734(3)
_refine_ls_goodness_of_fit_all   0.462
_refine_ls_R_I_factor            0.033
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            200k_12m.cif
_cod_data_source_block           200K
_cod_original_formula_sum        'Fe1.60 Mn2.40 Pr4 O12'
_cod_database_code               1570036
Vacancy-driven magnetism of GdMnO3+delta multiferroic compound
Matus Mihalik et al.; Journal of Magnetism and Magnetic Materials 587 (2023) 171221–; doi:10.1016/j.jmmm.2023.171221

data_1570037
_publ_author_name                'Matus Mihalik et al.'
_publ_contact_author_address
'Institute of Experimental Physics SAS, Watsonova 44, Kosice, Slovakia'
_publ_contact_author_name        'Matus Mihalik'
_publ_section_title
;
 Vacancy-driven magnetism of GdMnO3+delta multiferroic compound
;
_journal_coden_ASTM              JMMM
_journal_name_full               'Journal of Magnetism and Magnetic Materials'
_journal_page_first              171221
_journal_paper_doi               10.1016/j.jmmm.2023.171221
_journal_volume                  587
_journal_year                    2023
_chemical_formula_sum            'Gd Mn O3'
_chemical_formula_weight         260.18
_chemical_name_common            GdMnO3
_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                   5.8725(10)
_cell_length_b                   7.4312(10)
_cell_length_c                   5.3192(10)
_cell_measurement_temperature    296
_cell_measurement_theta_max      90
_cell_measurement_theta_min      20
_cell_volume                     232.13(7)
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.5
_diffrn_measurement_device_type  'Ultima IV'
_diffrn_measurement_method       \q/2'\q
_diffrn_radiation_detector       dTEX
_diffrn_radiation_source         'X-ray tube'
_diffrn_reflns_number            102
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    7.445
_exptl_crystal_description       powder
_geom_angle                      90.8067(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              1.9953(3)
_refine_ls_goodness_of_fit_all   0.5993
_refine_ls_R_I_factor            0.01625
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            GdMnO3-Ar-start.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_sum            'Gd4 Mn4 O12'
_cod_original_formula_weight         1040.74
_cod_original_formula_units_Z            1
_cod_original_cell_volume        232.128410
_cod_database_code               1570037
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_1570042
_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            'Fe O3 Sm'
_chemical_formula_weight         254.20
_chemical_name_common            SmFeO3
_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                   5.5922(10)
_cell_length_b                   7.7084(10)
_cell_length_c                   5.3989(10)
_cell_measurement_temperature    296
_cell_measurement_theta_max      90
_cell_measurement_theta_min      20
_cell_volume                     232.73(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    7.253
_exptl_crystal_description       powder
_geom_angle                      94.0149(5)
_geom_angle_atom_site_label_1    O1
_geom_angle_atom_site_label_2    Fe1
_geom_angle_atom_site_label_3    O2
_geom_bond_atom_site_label_1     O2
_geom_bond_atom_site_label_2     Fe1
_geom_bond_distance              1.9912(3)
_refine_ls_goodness_of_fit_all   0.6334
_refine_ls_R_I_factor            0.0327
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            SmFeO3.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         1016.81
_cod_original_formula_units_Z            1
_cod_original_cell_volume        232.729907
_cod_original_formula_sum        'Fe4 Sm4 O12'
_cod_database_code               1570042
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_1570043
_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            'Fe3.6 Mn0.4 O12 Sm4'
_chemical_formula_weight         1016.45
_chemical_name_common            SmMn0.1Fe0.9O3
_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                   5.5883(10)
_cell_length_b                   7.6891(10)
_cell_length_c                   5.3923(10)
_cell_measurement_temperature    296
_cell_measurement_theta_max      100
_cell_measurement_theta_min      20
_cell_volume                     231.70(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    7.279
_exptl_crystal_description       powder
_geom_angle                      95.7216(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     O2
_geom_bond_atom_site_label_2     Mn1
_geom_bond_distance              1.8930(3)
_refine_ls_goodness_of_fit_all   0.5891
_refine_ls_R_I_factor            0.0296
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            SmMn01Fe09O3.cif
_cod_data_source_block           13K
_cod_original_cell_volume        231.701734
_cod_original_formula_sum        'Fe3.6 Mn0.4 Sm4 O12'
_cod_database_code               1570043
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_1570044
_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            'Fe3.2 Mn0.8 O12 Sm4'
_chemical_formula_weight         1016.09
_chemical_name_common            SmMn0.2Fe0.8O3
_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                   5.6111(10)
_cell_length_b                   7.6838(10)
_cell_length_c                   5.3949(10)
_cell_measurement_temperature    296
_cell_measurement_theta_max      100
_cell_measurement_theta_min      20
_cell_volume                     232.60(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            130
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    7.255
_exptl_crystal_description       powder
_geom_angle                      90.7817(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              1.9714(3)
_refine_ls_goodness_of_fit_all   0.4802
_refine_ls_R_I_factor            0.0236
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            SmMn02Fe08O3.cif
_cod_data_source_block           13K
_cod_original_cell_volume        232.598803
_cod_original_formula_sum        'Fe3.2 Mn0.8 Sm4 O12'
_cod_database_code               1570044