#------------------------------------------------------------------------------
#$Date: 2023-10-03 15:14:38 +0300 (Tue, 03 Oct 2023) $
#$Revision: 286637 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/00/1570036.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_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       2θ
_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
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
Pr1 1.0 0.055770 0.250000 0.986830 Uiso 0.0 Pr
Mn1 0.6000 0.000000 0.000000 0.500000 Uiso 0.0 Mn
Fe1 0.4000 0.000000 0.000000 0.500000 Uiso 0.0 Fe
O1 1.0 0.480510 0.250000 0.082690 Uiso 0.0 O
O2 1.0 0.305900 0.043290 0.712720 Uiso 0.0 O
