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#$Date: 2023-10-05 15:03:15 +0300 (Thu, 05 Oct 2023) $
#$Revision: 286686 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/00/1570050.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
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       θ/2'θ
_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
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-x+1/2, -y, z+1/2'
'x+1/2, y, -z+1/2'
'-x, y+1/2, -z'
'x, -y+1/2, z'
'x+1/2, -y+1/2, -z+1/2'
'-x+1/2, y+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
Sm1 1.0 0.066410 0.250000 0.984980 Uiso 0 Sm
Mn1 0.8000 0.000000 0.000000 0.500000 Uiso 0 Mn
Fe1 0.2000 0.000000 0.000000 0.500000 Uiso 0 Fe
O1 1.0 0.484940 0.250000 0.095190 Uiso 0 O
O2 1.0 0.334980 0.043000 0.727990 Uiso 0 O
loop_
_diffrn_radiation_type
_diffrn_radiation_wavelength
CoK\a~1~ 1.789
CoK\a~2~ 1.793
