#------------------------------------------------------------------------------
#$Date: 2024-05-23 11:45:01 +0200 (Thu 23 de May de 2024) $
#$Revision: 292002 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/53/9015346.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_9015346
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 Ti0.885'
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.3715
_cell_length_b                   7.3715
_cell_length_c                   5.3020
_cell_formula_units_Z            9
_cell_volume                     249.507
_database_code_amcsd             0018295
_exptl_crystal_density_diffrn    6.053
_cod_original_formula_sum        'Ti.885 Ni'
_cod_database_code               9015346
_amcsd_formula_title             Ti50.75Ni47.75Fe1.50
loop_
_space_group_symop_operation_xyz
x,y,z
y,-x+y,-z
-x+y,-x,z
-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_U_iso_or_equiv
Ti1 0.00000 0.00000 0.00000 0.88500 0.00915
Ni1 0.00000 0.00000 0.50000 1.00000 0.00641
Ti2 -0.00864 0.32420 0.65670 0.88500 0.00915
Ni2 -0.01872 0.32588 0.14702 1.00000 0.00641
Ti3 0.33333 0.66667 0.02990 0.88500 0.00915
Ni3 0.33333 0.66667 0.56560 1.00000 0.00641
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0018295
