#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/57/9015733.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_9015733
loop_
_publ_author_name
'Sitepu, H.'
_publ_section_title
;
 Structural refinement of neutron powder diffraction data of two-stage
 martensitic phase transformations in Ti50.75Ni47.75Fe1.50 shape memory alloy
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              209
_journal_page_last               218
_journal_paper_doi               10.1154/1.2754715
_journal_volume                  22
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ni Ti0.921'
_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                97.4036
_cell_length_a                   2.92617
_cell_length_b                   4.17272
_cell_length_c                   4.69631
_cell_formula_units_Z            2
_cell_volume                     56.864
_database_code_amcsd             0018296
_exptl_crystal_density_diffrn    6.003
_cod_original_formula_sum        'Ti.921 Ni'
_cod_database_code               9015733
_amcsd_formula_title             Ti50.75Ni47.75Fe1.50
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_occupancy
_atom_site_U_iso_or_equiv
Ti 0.58220 0.28840 0.25000 0.92100 0.01000
Ni 0.02600 0.17570 0.75000 1.07900 0.01000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018296
