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#$Date: 2021-04-23 11:39:27 +0300 (Fri, 23 Apr 2021) $
#$Revision: 264460 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/20/1562029.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_1562029
_publ_author_name
'Mihalik M., Jaglicic Z., Fitta M., Kavecansky V., Csach K., Budziak A., Briancin J., Zentkova M., Mihalik M.'
_publ_contact_author_address
'Institute of Experimental Physics SAS, Watsonova 44, Kosice, Slovakia'
_publ_contact_author_name        'Matus Mihalik'
_publ_section_title
;
 Structural and magnetic study of PrMn_(1-x)Fe_xO_3 compounds
;
_journal_coden_ASTM              JALCOM
_journal_name_full               'Journal of Alloys and Compounds'
_journal_page_first              652
_journal_page_last               661
_journal_paper_doi               10.1016/j.jallcom.2016.06.177
_journal_volume                  687
_journal_year                    2016
_chemical_formula_sum            'Mn O3 Pr'
_chemical_formula_weight         243.85
_chemical_name_common            PrMnO3
_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                   5.8276(10)
_cell_length_b                   7.5986(10)
_cell_length_c                   5.4589(10)
_cell_measurement_temperature    373
_cell_measurement_theta_max      90
_cell_measurement_theta_min      15
_cell_volume                     241.73(7)
_diffrn_ambient_temperature      373
_diffrn_measured_fraction_theta_full 0.5
_diffrn_measurement_device_type  'Ultima IV (Rigaku)'
_diffrn_measurement_method       θ/2'θ
_diffrn_radiation_detector       D/TEX
_diffrn_radiation_source         'X-ray tube'
_diffrn_reflns_number            120
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.701
_exptl_crystal_description       powder
_geom_angle                      89.413(4)
_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              1.9187(3)
_refine_ls_goodness_of_fit_all   7.937
_refine_ls_R_I_factor            0.131
_refine_ls_structure_factor_coef Inet
_cod_data_source_file            prmno3_100_1.cif
_cod_data_source_block           1000C
_cod_database_code               1562029
_exptl_atmosphere                air
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 0.064520 0.250000 0.991650 Uiso 0.0 Pr
Mn1 1.0 0.000000 0.000000 0.500000 Uiso 0.0 Mn
O1 1.0 0.507750 0.250000 0.048650 Uiso 0.0 O
O2 1.0 0.371140 0.028040 0.721020 Uiso 0.0 O
loop_
_diffrn_radiation_type
_diffrn_radiation_wavelength
CuK\a~1~ 1.54056
CuK\a~2~ 1.54439
