The material structure described by CsNdZnTe3 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. Nd(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form NdTe6 octahedra that share corners with two equivalent Nd(1)Te6 octahedra, edges with two equivalent Nd(1)Te6 octahedra, and edges with four equivalent Zn(1)Te4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. 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 Nd(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 Nd(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 Nd(1), and two equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsNdZnTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.528
_cell_length_b   8.961
_cell_length_c   12.041
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   104.633
_symmetry_Int_Tables_number   1
_cell_volume   472.648
_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  0.746  0.493  0.750  1.0
  Cs  Cs1  1  0.254  0.507  0.250  1.0
  Nd  Nd2  1  0.000  0.000  0.000  1.0
  Nd  Nd3  1  0.000  0.000  0.500  1.0
  Zn  Zn4  1  0.465  0.929  0.750  1.0
  Zn  Zn5  1  0.535  0.071  0.250  1.0
  Te  Te6  1  0.379  0.758  0.565  1.0
  Te  Te7  1  0.621  0.242  0.435  1.0
  Te  Te8  1  0.939  0.879  0.250  1.0
  Te  Te9  1  0.061  0.121  0.750  1.0
  Te  Te10  1  0.379  0.758  0.935  1.0
  Te  Te11  1  0.621  0.242  0.065  1.0
[/CIF]
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The material structure described by CsNdZnTe3 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. Nd(1) is bonded to two equivalent Te(2) and four equivalent Te(1) atoms to form NdTe6 octahedra that share corners with two equivalent Nd(1)Te6 octahedra, edges with two equivalent Nd(1)Te6 octahedra, and edges with four equivalent Zn(1)Te4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. 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 Nd(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 Nd(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 Nd(1), and two equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsNdZnTe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.528
_cell_length_b   8.961
_cell_length_c   12.041
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   104.633
_symmetry_Int_Tables_number   1
_cell_volume   472.648
_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  0.746  0.493  0.750  1.0
  Cs  Cs1  1  0.254  0.507  0.250  1.0
  Nd  Nd2  1  0.000  0.000  0.000  1.0
  Nd  Nd3  1  0.000  0.000  0.500  1.0
  Zn  Zn4  1  0.465  0.929  0.750  1.0
  Zn  Zn5  1  0.535  0.071  0.250  1.0
  Te  Te6  1  0.379  0.758  0.565  1.0
  Te  Te7  1  0.621  0.242  0.435  1.0
  Te  Te8  1  0.939  0.879  0.250  1.0
  Te  Te9  1  0.061  0.121  0.750  1.0
  Te  Te10  1  0.379  0.758  0.935  1.0
  Te  Te11  1  0.621  0.242  0.065  1.0
[/CIF]
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