#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/74/1527461.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_1527461
loop_
_publ_author_name
'Gueramian, M.'
'Yvon, K.'
'Hulliger, F.'
_publ_section_title
;
 Structure and magnetic properties of the Th Mn12-type compounds R Fe12-x
 Rex (R= Ce-Nd, Sm, Gd-Tm, Lu, Y, Th, U)
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              321
_journal_page_last               330
_journal_volume                  175
_journal_year                    1991
_chemical_formula_sum            'Fe10.5 Pr Re1.5'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.6203
_cell_length_b                   8.6203
_cell_length_c                   4.7622
_cell_volume                     353.877
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Gueramian_JCOMAH_1991_477.cif
_cod_data_source_block           Fe10.5Pr1Re1.5
_cod_original_formula_sum        'Fe10.5 Pr1 Re1.5'
_cod_database_code               1527461
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+1/2,z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Pr1 Pr 0 0 0 1 0.0
Fe2 Fe 0.275 0.5 0 1 0.0
Re3 Re 0.3596 0 0 0.37 0.0
Fe1 Fe 0.25 0.25 0.25 1 0.0
Fe3 Fe 0.3596 0 0 0.63 0.0
