#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/76/1527668.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_1527668
loop_
_publ_author_name
'Kok, R.B.'
'Jellinek, F.'
'Wiegers, G.A.'
_publ_section_title
;
 The system nickel-tellurium I. Structure and some superstructures of the
 Ni3+q Te2 phase
;
_journal_name_full
;
Recueil des Travaux Chimiques des Pays-Bas et de la Belgique
;
_journal_page_first              1585
_journal_page_last               1588
_journal_volume                  84
_journal_year                    1965
_chemical_formula_sum            'Ni2.86 Te2'
_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'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.782
_cell_length_b                   3.782
_cell_length_c                   6.062
_cell_volume                     86.708
_citation_journal_id_ASTM        RTCPA3
_cod_data_source_file            Kok_RTCPA3_1965_1535.cif
_cod_data_source_block           Ni2.86Te2
_cod_original_cell_volume        86.70796
_cod_original_sg_symbol_Hall     '-P 4a 2a (x-1/4,y+1/4,z)'
_cod_database_code               1527668
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z
-x,-y,z
y+1/2,-x+1/2,z
x+1/2,-y+1/2,-z
y,x,-z
-x+1/2,y+1/2,-z
-y,-x,-z
-x+1/2,-y+1/2,-z
y,-x,-z
x+1/2,y+1/2,-z
-y,x,-z
-x,y,z
-y+1/2,-x+1/2,z
x,-y,z
y+1/2,x+1/2,z
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
Te1 Te 0 0.5 0.29 1 0.0
Ni1 Ni 0 0 0 1 0.0
Ni2 Ni 0 0.5 0.69 0.43 0.0
