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#$Date: 2015-07-12 20:56:22 +0300 (Sun, 12 Jul 2015) $
#$Revision: 148042 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/67/1526794.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_1526794
loop_
_publ_author_name
'Teresiak, A.'
'Kubis, M.'
'Mueller, K.H.'
'Mattern, N.'
'Wolf, B.'
_publ_section_title
;
 Crystal structure of Sm2 Fe17-y My compounds with M = Al, Si, Ga
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              168
_journal_page_last               173
_journal_volume                  319
_journal_year                    2001
_chemical_formula_sum            'Fe16.04 Si0.96 Sm2'
_chemical_name_systematic        'Sm2 Fe11 (Fe5.04 Si0.96)'
_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                   8.545
_cell_length_b                   8.545
_cell_length_c                   12.455
_cell_volume                     787.587
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Teresiak_JALCEU_2001_1239.cif
_cod_data_source_block           Fe16.04Si0.96Sm2
_cod_original_cell_volume        787.5869
_cod_database_code               1526794
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
Fe2 Fe 0.5 0 0.5 1 0.0
Fe1 Fe 0 0 0.096 1 0.0
Fe4 Fe 0.502 0.498 0.157 0.84 0.0
Sm1 Sm 0 0 0.342 1 0.0
Si1 Si 0.502 0.498 0.157 0.16 0.0
Fe3 Fe 0.29 0 0 1 0.0
