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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/06/2310665.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2310665
loop_
_publ_author_name
'Shoemaker, C.B.'
'Shoemaker, D.P.'
_publ_section_title
;
 A ternary alloy with Pb Cl2 - type structure: Ti Ni Si(e)
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              900
_journal_page_last               905
_journal_volume                  18
_journal_year                    1965
_chemical_formula_sum            'Ni Si Ti'
_chemical_name_systematic        'Ti Ni Si'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.1484
_cell_length_b                   7.0173
_cell_length_c                   3.6698
_cell_volume                     158.334
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Shoemaker_ACCRA9_1965_1889.cif
_cod_data_source_block           Ni1Si1Ti1
_cod_original_cell_volume        158.3341
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'Ni1 Si1 Ti1'
_cod_database_code               2310665
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
x+1/2,-y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
x-1/2,-y-1/2,z
-x-1/2,y-1/2,z-1/2
x,y,-z-1/2
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
Ni1 Ni 0.142 0.5609 0.25 1 0.0
Si1 Si 0.7651 0.6229 0.25 1 0.0
Ti1 Ti 0.0212 0.1803 0.25 1 0.0
