The material structure described by CsYZnTe3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Te(2) and six equivalent Te(1) atoms. Y(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form YTe6 octahedra that share corners with two equivalent Y(1)Te6 octahedra, edges with two equivalent Y(1)Te6 octahedra, and edges with four equivalent Zn(1)Te4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. Zn(1) is bonded to two equivalent Te(1) and two equivalent Te(2) atoms to form ZnTe4 tetrahedra that share corners with two equivalent Zn(1)Te4 tetrahedra and edges with four equivalent Y(1)Te6 octahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to three equivalent Cs(1), two equivalent Y(1), and one Zn(1) atom. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to two equivalent Cs(1), two equivalent Y(1), and two equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_CsYZnTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.460
_cell_length_b   8.862
_cell_length_c   11.794
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   104.573
_symmetry_Int_Tables_number   1
_cell_volume   451.160
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.745  0.490  0.250  1.0
  Cs  Cs1  1  0.255  0.510  0.750  1.0
  Y  Y2  1  0.000  0.000  0.500  1.0
  Y  Y3  1  0.000  0.000  0.000  1.0
  Zn  Zn4  1  0.460  0.920  0.250  1.0
  Zn  Zn5  1  0.540  0.080  0.750  1.0
  Te  Te6  1  0.379  0.758  0.443  1.0
  Te  Te7  1  0.621  0.242  0.557  1.0
  Te  Te8  1  0.379  0.758  0.057  1.0
  Te  Te9  1  0.621  0.242  0.943  1.0
  Te  Te10  1  0.058  0.116  0.250  1.0
  Te  Te11  1  0.942  0.884  0.750  1.0
[/CIF]
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The material structure described by CsYZnTe3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 8-coordinate geometry to two equivalent Te(2) and six equivalent Te(1) atoms. Y(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form YTe6 octahedra that share corners with two equivalent Y(1)Te6 octahedra, edges with two equivalent Y(1)Te6 octahedra, and edges with four equivalent Zn(1)Te4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. Zn(1) is bonded to two equivalent Te(1) and two equivalent Te(2) atoms to form ZnTe4 tetrahedra that share corners with two equivalent Zn(1)Te4 tetrahedra and edges with four equivalent Y(1)Te6 octahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to three equivalent Cs(1), two equivalent Y(1), and one Zn(1) atom. In the second Te site, Te(2) is bonded in a 6-coordinate geometry to two equivalent Cs(1), two equivalent Y(1), and two equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_CsYZnTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.460
_cell_length_b   8.862
_cell_length_c   11.794
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   104.573
_symmetry_Int_Tables_number   1
_cell_volume   451.160
_cell_formula_units_Z   2
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
  Cs  Cs0  1  0.745  0.490  0.250  1.0
  Cs  Cs1  1  0.255  0.510  0.750  1.0
  Y  Y2  1  0.000  0.000  0.500  1.0
  Y  Y3  1  0.000  0.000  0.000  1.0
  Zn  Zn4  1  0.460  0.920  0.250  1.0
  Zn  Zn5  1  0.540  0.080  0.750  1.0
  Te  Te6  1  0.379  0.758  0.443  1.0
  Te  Te7  1  0.621  0.242  0.557  1.0
  Te  Te8  1  0.379  0.758  0.057  1.0
  Te  Te9  1  0.621  0.242  0.943  1.0
  Te  Te10  1  0.058  0.116  0.250  1.0
  Te  Te11  1  0.942  0.884  0.750  1.0
[/CIF]
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