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#$Date: 2015-10-01 16:03:09 +0300 (Thu, 01 Oct 2015) $
#$Revision: 159342 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/32/1533219.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_1533219
loop_
_publ_author_name
'Nehdi, I.'
'Bessais, L.'
'Zarrouk, H.'
'Djega-Mariadassou, C.'
'Abdellaoui, M.'
_publ_section_title
;
 X-ray and Mossbauer studies of Sm2 Fe17-x Crx materials synthesizedby
 mechanical alloying followed by an appropriate short annealing
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              24
_journal_page_last               30
_journal_volume                  351
_journal_year                    2003
_chemical_formula_sum            'Cr0.5 Fe16.5 Sm2'
_chemical_name_systematic        'Sm2 Fe16.5 Cr0.5'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   8.549
_cell_length_b                   8.549
_cell_length_c                   12.445
_cell_volume                     787.692
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Nehdi_JALCEU_2003_737.cif
_cod_data_source_block           Cr0.5Fe16.5Sm2
_cod_original_cell_volume        787.6915
_cod_database_code               1533219
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
Fe4 Fe 0.502 0.498 0.157 1 0.0
Sm1 Sm 0 0 0.343 1 0.0
Fe1 Fe 0 0 0.096 0.75 0.0
Fe2 Fe 0.5 0.5 0.5 1 0.0
Cr1 Cr 0 0 0.096 0.25 0.0
Fe3 Fe 0.289 0 0 1 0.0
