#------------------------------------------------------------------------------
#$Date: 2009-11-18 14:56:34 +0000 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: svn://www.crystallography.net/cod/cif/9/9009896.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_9009896
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_[local]_cod_cif_authors_sg_H-M  'P 4/n m m'
loop_
_publ_author_name
'Rost E'
'Vestersjo E'
_publ_section_title
;
 On the system Ni-Se-Te
 Note: Phase A, sample 34
 Locality: synthetic
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              2118
_journal_page_last               2134
_journal_volume                  22
_journal_year                    1968
_chemical_formula_sum            'Ni1.4 Se0.5 Te0.5'
_[local]_cod_chemical_formula_sum_orig 'Ni1.4 (Se.5 Te.5)'
_chemical_name_mineral           Ni2.8(SeTe)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.734
_cell_length_b                   3.734
_cell_length_c                   5.757
_cell_volume                     80.268
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-y,1/2-x,z
y,x,-z
y,-x,-z
1/2-y,1/2+x,z
x,-y,z
1/2-x,1/2+y,-z
1/2+x,1/2+y,-z
-x,-y,z
1/2+y,1/2+x,z
-y,-x,-z
-y,x,-z
1/2+y,1/2-x,z
-x,y,z
1/2+x,1/2-y,-z
1/2-x,1/2-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
Ni 0.00000 0.00000 0.00000 1.00000 0.05319
Ni 0.00000 0.50000 0.67800 0.40000 0.04939
Se 0.00000 0.50000 0.28900 0.50000 0.02153
Te 0.00000 0.50000 0.28900 0.50000 0.02153