#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009982.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_9009982
loop_
_publ_author_name
'Sitepu H'
'Wright J P'
'Hansen T'
'Chateigner D'
'Brokmeier H G'
'Ritter C'
'Ohba T'
_publ_section_title
;
 Combined synchrotron and neutron structural refinement of R-phase in
 Ti50.75Ni47.75Fe1.50 shape memory alloy
;
_journal_name_full               'Materials Science Forum'
_journal_page_first              255
_journal_page_last               260
_journal_volume                  495
_journal_year                    2005
_chemical_formula_sum            'Ti.88 Ni'
_chemical_name_mineral           Ti50.75Ni47.75Fe1.50
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.2579
_cell_length_b                   4.2579
_cell_length_c                   5.2149
_cell_volume                     81.878
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x+y,-z
-x+y,-x,z
-x,-y,-z
-y,x-y,z
x-y,x,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ti1 0.00000 0.00000 0.00000 0.88000 0.00768
Ni2 0.00000 0.00000 0.50000 1.00000 0.00519
Ti3 -0.00805 0.32590 0.65701 0.88000 0.00768
Ni4 -0.01929 0.32450 0.14673 1.00000 0.00519
Ti5 0.33333 0.66667 0.03045 0.88000 0.00768
Ni6 0.33333 0.66667 0.56383 1.00000 0.00519