#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009983.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_9009983
_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.875 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'
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   0.87500   0.00714
Ni2   0.00000   0.00000   0.52490   1.00000   0.00587
Ti3  -0.01290   0.32480   0.64630   0.87500   0.00714
Ni4  -0.01160   0.33640   0.13060   1.00000   0.00587
Ti5   0.33333   0.66667   0.01500   0.87500   0.00714
Ni6   0.33333   0.66667   0.53010   1.00000   0.00587
Ti7   0.00630   0.67480   0.33140   0.87500   0.00714
Ni8   0.02040   0.68340   0.83360   1.00000   0.00587
Ti9   0.66667   0.33333  -0.04470   0.87500   0.00714
Ni10   0.66667   0.33333   0.41720   1.00000   0.00587