#------------------------------------------------------------------------------
#$Date: 2024-05-09 10:47:05 +0200 (Thu 09 de May de 2024) $
#$Revision: 291792 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/00/9010010.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_paper_doi               10.1007/s003390201840
_journal_volume                  74
_journal_year                    2002
_chemical_formula_structural     NiTi
_chemical_formula_sum            'Ni Ti'
_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_formula_units_Z            2
_cell_volume                     54.737
_database_code_amcsd             0012031
_exptl_crystal_density_diffrn    6.466
_cod_original_formula_sum        'Ti Ni'
_cod_database_code               9010010
_amcsd_formula_title             NiTi
loop_
_space_group_symop_operation_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
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0012031
