The structure described by NiTe2 is pyrite-like structured and crystallizes in the cubic Pa-3 space group. Ni(1) is bonded to six equivalent Te(1) atoms to form corner-sharing NiTe6 octahedra. The corner-sharing octahedral tilt angles are 62°. Te(1) is bonded in a distorted trigonal planar geometry to three equivalent Ni(1) and one Te(1) atom. is represented by the CIF card [CIF]
data_NiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.384
_cell_length_b   6.384
_cell_length_c   6.384
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   260.224
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ni  Ni0  1  0.500  0.500  0.000  1.0
  Ni  Ni1  1  0.500  0.000  0.500  1.0
  Ni  Ni2  1  0.000  0.500  0.500  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
  Te  Te4  1  0.135  0.865  0.365  1.0
  Te  Te5  1  0.865  0.365  0.135  1.0
  Te  Te6  1  0.365  0.135  0.865  1.0
  Te  Te7  1  0.635  0.635  0.635  1.0
  Te  Te8  1  0.865  0.135  0.635  1.0
  Te  Te9  1  0.135  0.635  0.865  1.0
  Te  Te10  1  0.635  0.865  0.135  1.0
  Te  Te11  1  0.365  0.365  0.365  1.0
[/CIF]
.
The structure described by NiTe2 is pyrite-like structured and crystallizes in the cubic Pa-3 space group. Ni(1) is bonded to six equivalent Te(1) atoms to form corner-sharing NiTe6 octahedra. The corner-sharing octahedral tilt angles are 62°. Te(1) is bonded in a distorted trigonal planar geometry to three equivalent Ni(1) and one Te(1) atom. is represented by the CIF card [CIF]
data_NiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.384
_cell_length_b   6.384
_cell_length_c   6.384
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   260.224
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ni  Ni0  1  0.500  0.500  0.000  1.0
  Ni  Ni1  1  0.500  0.000  0.500  1.0
  Ni  Ni2  1  0.000  0.500  0.500  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
  Te  Te4  1  0.135  0.865  0.365  1.0
  Te  Te5  1  0.865  0.365  0.135  1.0
  Te  Te6  1  0.365  0.135  0.865  1.0
  Te  Te7  1  0.635  0.635  0.635  1.0
  Te  Te8  1  0.865  0.135  0.635  1.0
  Te  Te9  1  0.135  0.635  0.865  1.0
  Te  Te10  1  0.635  0.865  0.135  1.0
  Te  Te11  1  0.365  0.365  0.365  1.0
[/CIF]
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