The material described by CdIn3AsTe4 crystallizes in the triclinic P1 space group. Cd(1) is bonded to one As(1), one Te(1), one Te(2), and one Te(3) atom to form CdTe3As tetrahedra that share corners with three equivalent In(1)Te3As tetrahedra, corners with three equivalent In(2)Te3As tetrahedra, and corners with three equivalent In(3)Te3As tetrahedra. There are three inequivalent In sites. In the first In site, In(1) is bonded to one As(1), one Te(2), one Te(3), and one Te(4) atom to form InTe3As tetrahedra that share corners with three equivalent Cd(1)Te3As tetrahedra, corners with three equivalent In(2)Te3As tetrahedra, and corners with three equivalent In(3)Te3As tetrahedra. In the second In site, In(2) is bonded to one As(1), one Te(1), one Te(3), and one Te(4) atom to form InTe3As tetrahedra that share corners with three equivalent Cd(1)Te3As tetrahedra, corners with three equivalent In(1)Te3As tetrahedra, and corners with three equivalent In(3)Te3As tetrahedra. In the third In site, In(3) is bonded to one As(1), one Te(1), one Te(2), and one Te(4) atom to form InTe3As tetrahedra that share corners with three equivalent Cd(1)Te3As tetrahedra, corners with three equivalent In(1)Te3As tetrahedra, and corners with three equivalent In(2)Te3As tetrahedra. As(1) is bonded in a tetrahedral geometry to one Cd(1), one In(1), one In(2), and one In(3) atom. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a trigonal non-coplanar geometry to one Cd(1), one In(2), and one In(3) atom. In the second Te site, Te(2) is bonded in a trigonal non-coplanar geometry to one Cd(1), one In(1), and one In(3) atom. In the third Te site, Te(3) is bonded in a trigonal non-coplanar geometry to one Cd(1), one In(1), and one In(2) atom. In the fourth Te site, Te(4) is bonded in a trigonal non-coplanar geometry to one In(1), one In(2), and one In(3) atom. is represented by the CIF file [CIF]
data_CdIn3Te4As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.398
_cell_length_b   7.862
_cell_length_c   7.755
_cell_angle_alpha   100.126
_cell_angle_beta   114.192
_cell_angle_gamma   65.682
_symmetry_Int_Tables_number   1
_cell_volume   324.217
_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
  Cd  Cd0  1  0.002  0.009  0.005  1.0
  In  In1  1  0.582  0.207  0.387  1.0
  In  In2  1  0.209  0.396  0.816  1.0
  In  In3  1  0.811  0.590  0.194  1.0
  Te  Te4  1  0.356  0.704  0.878  1.0
  Te  Te5  1  0.974  0.894  0.324  1.0
  Te  Te6  1  0.538  0.081  0.690  1.0
  Te  Te7  1  0.731  0.520  0.508  1.0
  As  As8  1  0.148  0.298  0.098  1.0
[/CIF]
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The material described by CdIn3AsTe4 crystallizes in the triclinic P1 space group. Cd(1) is bonded to one As(1), one Te(1), one Te(2), and one Te(3) atom to form CdTe3As tetrahedra that share corners with three equivalent In(1)Te3As tetrahedra, corners with three equivalent In(2)Te3As tetrahedra, and corners with three equivalent In(3)Te3As tetrahedra. There are three inequivalent In sites. In the first In site, In(1) is bonded to one As(1), one Te(2), one Te(3), and one Te(4) atom to form InTe3As tetrahedra that share corners with three equivalent Cd(1)Te3As tetrahedra, corners with three equivalent In(2)Te3As tetrahedra, and corners with three equivalent In(3)Te3As tetrahedra. In the second In site, In(2) is bonded to one As(1), one Te(1), one Te(3), and one Te(4) atom to form InTe3As tetrahedra that share corners with three equivalent Cd(1)Te3As tetrahedra, corners with three equivalent In(1)Te3As tetrahedra, and corners with three equivalent In(3)Te3As tetrahedra. In the third In site, In(3) is bonded to one As(1), one Te(1), one Te(2), and one Te(4) atom to form InTe3As tetrahedra that share corners with three equivalent Cd(1)Te3As tetrahedra, corners with three equivalent In(1)Te3As tetrahedra, and corners with three equivalent In(2)Te3As tetrahedra. As(1) is bonded in a tetrahedral geometry to one Cd(1), one In(1), one In(2), and one In(3) atom. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a trigonal non-coplanar geometry to one Cd(1), one In(2), and one In(3) atom. In the second Te site, Te(2) is bonded in a trigonal non-coplanar geometry to one Cd(1), one In(1), and one In(3) atom. In the third Te site, Te(3) is bonded in a trigonal non-coplanar geometry to one Cd(1), one In(1), and one In(2) atom. In the fourth Te site, Te(4) is bonded in a trigonal non-coplanar geometry to one In(1), one In(2), and one In(3) atom. is represented by the CIF file [CIF]
data_CdIn3Te4As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.398
_cell_length_b   7.862
_cell_length_c   7.755
_cell_angle_alpha   100.126
_cell_angle_beta   114.192
_cell_angle_gamma   65.682
_symmetry_Int_Tables_number   1
_cell_volume   324.217
_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
  Cd  Cd0  1  0.002  0.009  0.005  1.0
  In  In1  1  0.582  0.207  0.387  1.0
  In  In2  1  0.209  0.396  0.816  1.0
  In  In3  1  0.811  0.590  0.194  1.0
  Te  Te4  1  0.356  0.704  0.878  1.0
  Te  Te5  1  0.974  0.894  0.324  1.0
  Te  Te6  1  0.538  0.081  0.690  1.0
  Te  Te7  1  0.731  0.520  0.508  1.0
  As  As8  1  0.148  0.298  0.098  1.0
[/CIF]
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