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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/29/1522944.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_1522944
loop_
_publ_author_name
'Stadelmaier, H.H.'
'Cadieu, F.J.'
'Liu, N.C.'
_publ_section_title
;
 Fe-Ti-rare earth compounds with the tetragonal Mn12 Th structure type
;
_journal_name_full               'Materials Letters'
_journal_page_first              80
_journal_page_last               81
_journal_volume                  6
_journal_year                    1987
_chemical_formula_sum            'Fe10.92 Sm Ti1.08'
_chemical_name_systematic        '(Fe0.91 Ti0.09)12 Sm'
_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                   4.796
_cell_volume                     352.242
_citation_journal_id_ASTM        MLETDJ
_cod_data_source_file            Stadelmaier_MLETDJ_1987_63.cif
_cod_data_source_block           Fe10.92Sm1Ti1.08
_cod_original_cell_volume        352.2417
_cod_original_formula_sum        'Fe10.92 Sm1 Ti1.08'
_cod_database_code               1522944
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
Fe2 Fe 0.36 0 0 0.91 0.0
Sm1 Sm 0 0 0 1 0.0
Ti2 Ti 0.36 0 0 0.09 0.0
Fe3 Fe 0.277 0.5 0 0.91 0.0
Ti1 Ti 0.25 0.25 0.25 0.09 0.0
Ti3 Ti 0.277 0.5 0 0.09 0.0
Fe1 Fe 0.25 0.25 0.25 0.91 0.0
