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#$Date: 2015-09-17 04:36:22 +0300 (Thu, 17 Sep 2015) $
#$Revision: 156701 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/13/1531305.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_1531305
loop_
_publ_author_name
'Djega-Mariadassou, C.'
'Bessais, L.'
'Greneche, J.M.'
'Nandra, A.'
'Burzo, E.'
_publ_section_title
;
 Structure and hyperfine properties of Sm2 (Fe, Si)17
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              014419-1
_journal_page_last               014419-8
_journal_volume                  65
_journal_year                    2001
_chemical_formula_sum            'Fe15.5 Si1.5 Sm2'
_chemical_name_systematic        'Sm2 Fe5 (Fe10.5 Si1.5)'
_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                   8.527
_cell_length_b                   8.527
_cell_length_c                   12.428
_cell_volume                     782.572
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Djega-Mariadassou_PRBMDO_2001_1225.cif
_cod_data_source_block           Fe15.5Si1.5Sm2
_cod_original_cell_volume        782.5723
_cod_database_code               1531305
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
Fe3 Fe 0.291 0 0 0.99 0.0
Fe4 Fe 0.501 0.499 0.157 0.76 0.0
Fe1 Fe 0 0 0.094 1 0.0
Fe2 Fe 0.5 0 0.5 1 0.0
Sm1 Sm 0 0 0.342 1 0.0
Si2 Si 0.501 0.499 0.157 0.24 0.0
Si1 Si 0.291 0 0 0.01 0.0
