#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$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
_chemical_name 'Ti50.75Ni47.75Fe1.50'
loop_
_publ_author_name
'Sitepu H'
'Wright J P'
'Hansen T'
'Chateigner D'
'Brokmeier H G'
'Ritter C'
'Ohba T'
_journal_name_full "Materials Science Forum"
_journal_volume 495
_journal_year 2005
_journal_page_first 255
_journal_page_last 260
_publ_section_title
;
 Combined synchrotron and neutron structural refinement of R-phase in
 Ti50.75Ni47.75Fe1.50 shape memory alloy
;
_chemical_formula_sum 'Ti.88 Ni'
_cell_length_a 4.2579
_cell_length_b 4.2579
_cell_length_c 5.2149
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 81.878
_symmetry_space_group_name_H-M 'P -3'
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_Uiso_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