The material structure described by Ga3AsTe3 crystallizes in the monoclinic Cm space group. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one As(1), one Te(3), and two equivalent Te(2) atoms to form GaTe3As tetrahedra that share corners with two equivalent Ga(1)Te3As tetrahedra, corners with three equivalent Ga(2)Te3As tetrahedra, and corners with four equivalent Ga(3)Te2As2 tetrahedra. In the second Ga site, Ga(2) is bonded to one As(1), one Te(1), and two equivalent Te(3) atoms to form GaTe3As tetrahedra that share corners with two equivalent Ga(2)Te3As tetrahedra, corners with three equivalent Ga(3)Te2As2 tetrahedra, and corners with three equivalent Ga(1)Te3As tetrahedra. In the third Ga site, Ga(3) is bonded to two equivalent As(1), one Te(1), and one Te(2) atom to form GaTe2As2 tetrahedra that share corners with two equivalent Ga(3)Te2As2 tetrahedra, corners with three equivalent Ga(2)Te3As tetrahedra, and corners with four equivalent Ga(1)Te3As tetrahedra. As(1) is bonded to one Ga(1), one Ga(2), and two equivalent Ga(3) atoms to form corner-sharing AsGa4 tetrahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a water-like geometry to one Ga(2) and one Ga(3) atom. In the second Te site, Te(2) is bonded in a trigonal non-coplanar geometry to one Ga(3) and two equivalent Ga(1) atoms. In the third Te site, Te(3) is bonded in a trigonal non-coplanar geometry to one Ga(1) and two equivalent Ga(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ga3Te3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.172
_cell_length_b   7.266
_cell_length_c   7.308
_cell_angle_alpha   81.411
_cell_angle_beta   90.000
_cell_angle_gamma   73.317
_symmetry_Int_Tables_number   1
_cell_volume   209.633
_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
  Ga  Ga0  1  0.998  0.004  0.983  1.0
  Ga  Ga1  1  0.251  0.498  0.737  1.0
  Ga  Ga2  1  0.497  0.006  0.517  1.0
  Te  Te3  1  0.309  0.382  0.419  1.0
  Te  Te4  1  0.574  0.852  0.192  1.0
  Te  Te5  1  0.805  0.391  0.966  1.0
  As  As6  1  0.067  0.867  0.686  1.0
[/CIF]
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The material structure described by Ga3AsTe3 crystallizes in the monoclinic Cm space group. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one As(1), one Te(3), and two equivalent Te(2) atoms to form GaTe3As tetrahedra that share corners with two equivalent Ga(1)Te3As tetrahedra, corners with three equivalent Ga(2)Te3As tetrahedra, and corners with four equivalent Ga(3)Te2As2 tetrahedra. In the second Ga site, Ga(2) is bonded to one As(1), one Te(1), and two equivalent Te(3) atoms to form GaTe3As tetrahedra that share corners with two equivalent Ga(2)Te3As tetrahedra, corners with three equivalent Ga(3)Te2As2 tetrahedra, and corners with three equivalent Ga(1)Te3As tetrahedra. In the third Ga site, Ga(3) is bonded to two equivalent As(1), one Te(1), and one Te(2) atom to form GaTe2As2 tetrahedra that share corners with two equivalent Ga(3)Te2As2 tetrahedra, corners with three equivalent Ga(2)Te3As tetrahedra, and corners with four equivalent Ga(1)Te3As tetrahedra. As(1) is bonded to one Ga(1), one Ga(2), and two equivalent Ga(3) atoms to form corner-sharing AsGa4 tetrahedra. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded in a water-like geometry to one Ga(2) and one Ga(3) atom. In the second Te site, Te(2) is bonded in a trigonal non-coplanar geometry to one Ga(3) and two equivalent Ga(1) atoms. In the third Te site, Te(3) is bonded in a trigonal non-coplanar geometry to one Ga(1) and two equivalent Ga(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ga3Te3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.172
_cell_length_b   7.266
_cell_length_c   7.308
_cell_angle_alpha   81.411
_cell_angle_beta   90.000
_cell_angle_gamma   73.317
_symmetry_Int_Tables_number   1
_cell_volume   209.633
_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
  Ga  Ga0  1  0.998  0.004  0.983  1.0
  Ga  Ga1  1  0.251  0.498  0.737  1.0
  Ga  Ga2  1  0.497  0.006  0.517  1.0
  Te  Te3  1  0.309  0.382  0.419  1.0
  Te  Te4  1  0.574  0.852  0.192  1.0
  Te  Te5  1  0.805  0.391  0.966  1.0
  As  As6  1  0.067  0.867  0.686  1.0
[/CIF]
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