The material structure described by NdTl2InTe4 crystallizes in the tetragonal I-42m space group. The structure consists of a NdTl2InTe4 framework. Nd(1) is bonded to four equivalent Te(1) atoms to form distorted NdTe4 tetrahedra that share edges with two equivalent In(1)Te4 tetrahedra. Tl(1) is bonded in a 4-coordinate geometry to four equivalent Te(1) atoms. In(1) is bonded to four equivalent Te(1) atoms to form InTe4 tetrahedra that share edges with two equivalent Nd(1)Te4 tetrahedra. Te(1) is bonded in a distorted L-shaped geometry to one Nd(1), two equivalent Tl(1), and one In(1) atom. is represented by the CIF card [CIF]
data_NdTl2InTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.175
_cell_length_b   7.175
_cell_length_c   7.175
_cell_angle_alpha   106.597
_cell_angle_beta   106.597
_cell_angle_gamma   115.386
_symmetry_Int_Tables_number   1
_cell_volume   282.087
_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
  Nd  Nd0  1  0.500  0.500  0.000  1.0
  Tl  Tl1  1  0.500  0.000  0.500  1.0
  Tl  Tl2  1  0.000  0.500  0.500  1.0
  In  In3  1  0.000  0.000  0.000  1.0
  Te  Te4  1  0.588  0.962  0.000  1.0
  Te  Te5  1  0.962  0.588  0.000  1.0
  Te  Te6  1  0.038  0.038  0.626  1.0
  Te  Te7  1  0.412  0.412  0.374  1.0
[/CIF]
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The material structure described by NdTl2InTe4 crystallizes in the tetragonal I-42m space group. The structure consists of a NdTl2InTe4 framework. Nd(1) is bonded to four equivalent Te(1) atoms to form distorted NdTe4 tetrahedra that share edges with two equivalent In(1)Te4 tetrahedra. Tl(1) is bonded in a 4-coordinate geometry to four equivalent Te(1) atoms. In(1) is bonded to four equivalent Te(1) atoms to form InTe4 tetrahedra that share edges with two equivalent Nd(1)Te4 tetrahedra. Te(1) is bonded in a distorted L-shaped geometry to one Nd(1), two equivalent Tl(1), and one In(1) atom. is represented by the CIF card [CIF]
data_NdTl2InTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.175
_cell_length_b   7.175
_cell_length_c   7.175
_cell_angle_alpha   106.597
_cell_angle_beta   106.597
_cell_angle_gamma   115.386
_symmetry_Int_Tables_number   1
_cell_volume   282.087
_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
  Nd  Nd0  1  0.500  0.500  0.000  1.0
  Tl  Tl1  1  0.500  0.000  0.500  1.0
  Tl  Tl2  1  0.000  0.500  0.500  1.0
  In  In3  1  0.000  0.000  0.000  1.0
  Te  Te4  1  0.588  0.962  0.000  1.0
  Te  Te5  1  0.962  0.588  0.000  1.0
  Te  Te6  1  0.038  0.038  0.626  1.0
  Te  Te7  1  0.412  0.412  0.374  1.0
[/CIF]
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