#------------------------------------------------------------------------------
#$Date: 2010-06-10 17:11:07 +0200 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: svn://www.crystallography.net/cod/cif/9/9010010.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9010010
loop_
_publ_author_name
'Sitepu, H.'
'Schmahl, W. W.'
'Stalick, J. K.'
_publ_section_title
;
 Correction of intensities for preferred orientation in neutron-diffraction
 data of NiTi shape-memory alloy using the generalized spherical-harmonic description
;
_journal_name_full               'Applied Physics A'
_journal_page_first              S1719
_journal_page_last               S1721
_journal_volume                  74
_journal_year                    2002
_chemical_formula_sum            'Ni Ti'
_chemical_name_mineral           NiTi
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2c'
_symmetry_space_group_name_H-M   'P 1 1 21/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                97.938
_cell_length_a                   2.8837
_cell_length_b                   4.6674
_cell_length_c                   4.1062
_cell_volume                     54.737
_exptl_crystal_density_diffrn    6.466
_[local]_cod_chemical_formula_sum_orig 'Ti Ni'
_cod_database_code               9010010
_amcsd_database_code             AMCSD#0013679
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_U_iso_or_equiv
Ti 0.58870 0.28160 0.25000 0.00268
Ni 0.03870 0.17480 0.75000 0.00064