The material structure described by MgTe2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. Mg(1) is bonded to six equivalent Te(1) atoms to form MgTe6 octahedra that share corners with twelve equivalent Mg(1)Te6 octahedra and corners with six equivalent Te(1)Mg3Te tetrahedra. The corner-sharing octahedral tilt angles are 65°. Te(1) is bonded to three equivalent Mg(1) and one Te(1) atom to form distorted TeMg3Te tetrahedra that share corners with three equivalent Mg(1)Te6 octahedra and corners with fifteen equivalent Te(1)Mg3Te tetrahedra. The corner-sharing octahedral tilt angles are 77°. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.087
_cell_length_b   7.087
_cell_length_c   7.087
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   356.016
_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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.000  0.500  1.0
  Mg  Mg2  1  0.500  0.500  0.000  1.0
  Mg  Mg3  1  0.000  0.500  0.500  1.0
  Te  Te4  1  0.387  0.387  0.387  1.0
  Te  Te5  1  0.113  0.613  0.887  1.0
  Te  Te6  1  0.887  0.113  0.613  1.0
  Te  Te7  1  0.613  0.887  0.113  1.0
  Te  Te8  1  0.613  0.613  0.613  1.0
  Te  Te9  1  0.887  0.387  0.113  1.0
  Te  Te10  1  0.113  0.887  0.387  1.0
  Te  Te11  1  0.387  0.113  0.887  1.0
[/CIF]
.
The material structure described by MgTe2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. Mg(1) is bonded to six equivalent Te(1) atoms to form MgTe6 octahedra that share corners with twelve equivalent Mg(1)Te6 octahedra and corners with six equivalent Te(1)Mg3Te tetrahedra. The corner-sharing octahedral tilt angles are 65°. Te(1) is bonded to three equivalent Mg(1) and one Te(1) atom to form distorted TeMg3Te tetrahedra that share corners with three equivalent Mg(1)Te6 octahedra and corners with fifteen equivalent Te(1)Mg3Te tetrahedra. The corner-sharing octahedral tilt angles are 77°. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.087
_cell_length_b   7.087
_cell_length_c   7.087
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   356.016
_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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.000  0.500  1.0
  Mg  Mg2  1  0.500  0.500  0.000  1.0
  Mg  Mg3  1  0.000  0.500  0.500  1.0
  Te  Te4  1  0.387  0.387  0.387  1.0
  Te  Te5  1  0.113  0.613  0.887  1.0
  Te  Te6  1  0.887  0.113  0.613  1.0
  Te  Te7  1  0.613  0.887  0.113  1.0
  Te  Te8  1  0.613  0.613  0.613  1.0
  Te  Te9  1  0.887  0.387  0.113  1.0
  Te  Te10  1  0.113  0.887  0.387  1.0
  Te  Te11  1  0.387  0.113  0.887  1.0
[/CIF]
.