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#$Date: 2015-07-11 17:53:08 +0300 (Sat, 11 Jul 2015) $
#$Revision: 145441 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/46/1524643.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_1524643
loop_
_publ_author_name
'Kal'ichak, Ya.M.'
'Bodak, O.I.'
'Gladyshevskii, E.I.'
_publ_section_title
;
 Compounds of the Th Mn112 type in the Ce - Mo - (Fe, Co, Ni) systems
;
_journal_name_full               Kristallografiya
_journal_page_first              507
_journal_page_last               510
_journal_volume                  21
_journal_year                    1976
_chemical_formula_sum            'Ce Fe7.68 Mn4.32'
_chemical_name_systematic        'Ce (Fe0.64 Mn0.36)12'
_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                   8.57
_cell_length_b                   8.57
_cell_length_c                   4.759
_cell_volume                     349.524
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Kalichak_KRISAJ_1976_781.cif
_cod_data_source_block           Ce1Fe7.68Mn4.32
_cod_original_cell_volume        349.5242
_cod_chemical_formula_sum_orig   'Ce1 Fe7.68 Mn4.32'
_cod_database_code               1524643
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
Mn3 Mn 0.2759 0.5 0 0.36 0.0
Fe1 Fe 0.25 0.25 0.25 0.64 0.0
Fe2 Fe 0.3625 0 0 0.64 0.0
Mn2 Mn 0.3625 0 0 0.36 0.0
Ce1 Ce 0 0 0 1 0.0
Fe3 Fe 0.2759 0.5 0 0.64 0.0
Mn1 Mn 0.25 0.25 0.25 0.36 0.0