The structure described by NaLiTe is half-Heusler structured and crystallizes in the cubic F-43m space group. Na(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(1) and four equivalent Te(1) atoms. Li(1) is bonded to four equivalent Na(1) atoms to form distorted LiNa4 tetrahedra that share corners with four equivalent Te(1)Na4 tetrahedra, corners with twelve equivalent Li(1)Na4 tetrahedra, and edges with six equivalent Te(1)Na4 tetrahedra. Te(1) is bonded to four equivalent Na(1) atoms to form TeNa4 tetrahedra that share corners with four equivalent Li(1)Na4 tetrahedra, corners with twelve equivalent Te(1)Na4 tetrahedra, and edges with six equivalent Li(1)Na4 tetrahedra. is represented by the CIF card [CIF]
data_NaLiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.901
_cell_length_b   4.901
_cell_length_c   4.901
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   83.246
_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
  Na  Na0  1  0.750  0.750  0.750  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Te  Te2  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by NaLiTe is half-Heusler structured and crystallizes in the cubic F-43m space group. Na(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(1) and four equivalent Te(1) atoms. Li(1) is bonded to four equivalent Na(1) atoms to form distorted LiNa4 tetrahedra that share corners with four equivalent Te(1)Na4 tetrahedra, corners with twelve equivalent Li(1)Na4 tetrahedra, and edges with six equivalent Te(1)Na4 tetrahedra. Te(1) is bonded to four equivalent Na(1) atoms to form TeNa4 tetrahedra that share corners with four equivalent Li(1)Na4 tetrahedra, corners with twelve equivalent Te(1)Na4 tetrahedra, and edges with six equivalent Li(1)Na4 tetrahedra. is represented by the CIF card [CIF]
data_NaLiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.901
_cell_length_b   4.901
_cell_length_c   4.901
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   83.246
_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
  Na  Na0  1  0.750  0.750  0.750  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Te  Te2  1  0.000  0.000  0.000  1.0
[/CIF]
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