#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/32/1523252.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_1523252
loop_
_publ_author_name
'Bhan, S.'
_publ_section_title
;
 Structure of high temperature Ti (Ti.11 Ni.89)3 phase
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              215
_journal_page_last               220
_journal_volume                  25
_journal_year                    1971
_chemical_formula_sum            'Ni2 Ti'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            7
_cell_length_a                   2.549
_cell_length_b                   2.549
_cell_length_c                   43.648
_cell_volume                     245.604
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Bhan_JCOMAH_1971_1547.cif
_cod_data_source_block           Ni2Ti1
_cod_original_cell_volume        245.6036
_cod_original_formula_sum        'Ni2 Ti1'
_cod_database_code               1523252
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ti2 Ti 0 0 0.0476 0.33 0.0
Ti4 Ti 0 0 0.1429 0.33 0.0
Ni1 Ni 0 0 0 0.67 0.0
Ti3 Ti 0 0 0.0952 0.33 0.0
Ni2 Ni 0 0 0.0476 0.67 0.0
Ti1 Ti 0 0 0 0.33 0.0
Ni3 Ni 0 0 0.0952 0.67 0.0
Ni4 Ni 0 0 0.1429 0.67 0.0
