#------------------------------------------------------------------------------
#$Date: 2008-01-13 23:15:36 +0100 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/9/9010010.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_9010010
_chemical_name 'NiTi'
loop_
_publ_author_name
'Sitepu H'
'Schmahl W W'
'Stalick J K'
_journal_name_full "Applied Physics"
_journal_volume A74
_journal_year 2002
_journal_page_first S1719
_journal_page_last S1721
_publ_section_title
;
 Correction of intensities for preferred orientation in neutron-diffraction
 data of NiTi shape-memory alloy using the generalized spherical-harmonic descri
;
_chemical_formula_sum 'Ti Ni'
_cell_length_a 2.8837
_cell_length_b 4.6674
_cell_length_c 4.1062
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 97.938
_cell_volume 54.737
_symmetry_space_group_name_H-M 'P 1 1 21/m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,1/2+z'
  'x,y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Ti   0.58870   0.28160   0.25000   0.00268
Ni   0.03870   0.17480   0.75000   0.00064