The material described by ZnGa2Te4 crystallizes in the tetragonal I-4m2 space group. Zn(1) is bonded to two equivalent Te(2) and four Te(1,1) atoms to form ZnTe6 octahedra that share corners with two equivalent Ga(1)Te6 octahedra, corners with four equivalent Zn(1)Te6 octahedra, edges with four equivalent Ga(1)Te6 octahedra, and edges with four equivalent Ga(2)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two Te(2,2) and four Te(1,1) atoms to form GaTe6 octahedra that share corners with two equivalent Zn(1)Te6 octahedra, corners with four equivalent Ga(1)Te6 octahedra, edges with four equivalent Zn(1)Te6 octahedra, and edges with four equivalent Ga(2)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Ga site, Ga(2) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form GaTe6 octahedra that share corners with four equivalent Ga(2)Te6 octahedra, edges with four equivalent Zn(1)Te6 octahedra, and edges with four equivalent Ga(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Zn(1), one Ga(2), and two equivalent Ga(1) atoms to form a mixture of corner and edge-sharing TeZn2Ga3 square pyramids. In the second Te site, Te(2) is bonded in a square co-planar geometry to one Zn(1), one Ga(1), and two equivalent Ga(2) atoms. In the third Te site, Te(1) is bonded to two equivalent Zn(1), one Ga(2), and two equivalent Ga(1) atoms to form a mixture of corner and edge-sharing TeZn2Ga3 square pyramids. In the fourth Te site, Te(2) is bonded in a square co-planar geometry to one Zn(1), one Ga(1), and two equivalent Ga(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn(GaTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.982
_cell_length_b   6.982
_cell_length_c   6.982
_cell_angle_alpha   130.751
_cell_angle_beta   130.751
_cell_angle_gamma   72.208
_symmetry_Int_Tables_number   1
_cell_volume   190.967
_cell_formula_units_Z   1
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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  Ga  Ga1  1  0.500  0.500  0.000  1.0
  Ga  Ga2  1  0.250  0.750  0.500  1.0
  Te  Te3  1  0.003  0.503  0.500  1.0
  Te  Te4  1  0.752  0.752  0.000  1.0
  Te  Te5  1  0.497  0.997  0.500  1.0
  Te  Te6  1  0.248  0.248  0.000  1.0
[/CIF]
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The material described by ZnGa2Te4 crystallizes in the tetragonal I-4m2 space group. Zn(1) is bonded to two equivalent Te(2) and four Te(1,1) atoms to form ZnTe6 octahedra that share corners with two equivalent Ga(1)Te6 octahedra, corners with four equivalent Zn(1)Te6 octahedra, edges with four equivalent Ga(1)Te6 octahedra, and edges with four equivalent Ga(2)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two Te(2,2) and four Te(1,1) atoms to form GaTe6 octahedra that share corners with two equivalent Zn(1)Te6 octahedra, corners with four equivalent Ga(1)Te6 octahedra, edges with four equivalent Zn(1)Te6 octahedra, and edges with four equivalent Ga(2)Te6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Ga site, Ga(2) is bonded to two equivalent Te(1) and four equivalent Te(2) atoms to form GaTe6 octahedra that share corners with four equivalent Ga(2)Te6 octahedra, edges with four equivalent Zn(1)Te6 octahedra, and edges with four equivalent Ga(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent Zn(1), one Ga(2), and two equivalent Ga(1) atoms to form a mixture of corner and edge-sharing TeZn2Ga3 square pyramids. In the second Te site, Te(2) is bonded in a square co-planar geometry to one Zn(1), one Ga(1), and two equivalent Ga(2) atoms. In the third Te site, Te(1) is bonded to two equivalent Zn(1), one Ga(2), and two equivalent Ga(1) atoms to form a mixture of corner and edge-sharing TeZn2Ga3 square pyramids. In the fourth Te site, Te(2) is bonded in a square co-planar geometry to one Zn(1), one Ga(1), and two equivalent Ga(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn(GaTe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.982
_cell_length_b   6.982
_cell_length_c   6.982
_cell_angle_alpha   130.751
_cell_angle_beta   130.751
_cell_angle_gamma   72.208
_symmetry_Int_Tables_number   1
_cell_volume   190.967
_cell_formula_units_Z   1
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
  Zn  Zn0  1  0.000  0.000  0.000  1.0
  Ga  Ga1  1  0.500  0.500  0.000  1.0
  Ga  Ga2  1  0.250  0.750  0.500  1.0
  Te  Te3  1  0.003  0.503  0.500  1.0
  Te  Te4  1  0.752  0.752  0.000  1.0
  Te  Te5  1  0.497  0.997  0.500  1.0
  Te  Te6  1  0.248  0.248  0.000  1.0
[/CIF]
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