The compound described by LiMnTe2 is Spinel-like structured and crystallizes in the trigonal P3m1 space group. Li(1) is bonded to three equivalent Te(1) and three equivalent Te(2) atoms to form LiTe6 octahedra that share corners with six equivalent Mn(1)Te4 tetrahedra, edges with six equivalent Li(1)Te6 octahedra, and edges with three equivalent Mn(1)Te4 tetrahedra. Mn(1) is bonded to one Te(1) and three equivalent Te(2) atoms to form MnTe4 tetrahedra that share corners with six equivalent Li(1)Te6 octahedra, corners with six equivalent Mn(1)Te4 tetrahedra, and edges with three equivalent Li(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 15-59°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent Li(1) and one Mn(1) atom to form distorted TeLi3Mn trigonal pyramids that share corners with six equivalent Te(2)Li3Mn3 octahedra, corners with six equivalent Te(1)Li3Mn trigonal pyramids, and edges with three equivalent Te(2)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 10-65°. In the second Te site, Te(2) is bonded to three equivalent Li(1) and three equivalent Mn(1) atoms to form TeLi3Mn3 octahedra that share corners with six equivalent Te(1)Li3Mn trigonal pyramids, edges with six equivalent Te(2)Li3Mn3 octahedra, and edges with three equivalent Te(1)Li3Mn trigonal pyramids. is represented by the CIF card [CIF]
data_LiMnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.241
_cell_length_b   4.241
_cell_length_c   7.213
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   112.343
_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
  Li  Li0  1  0.667  0.333  0.797  1.0
  Mn  Mn1  1  0.000  0.000  0.349  1.0
  Te  Te2  1  0.000  0.000  0.997  1.0
  Te  Te3  1  0.333  0.667  0.510  1.0
[/CIF]
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The compound described by LiMnTe2 is Spinel-like structured and crystallizes in the trigonal P3m1 space group. Li(1) is bonded to three equivalent Te(1) and three equivalent Te(2) atoms to form LiTe6 octahedra that share corners with six equivalent Mn(1)Te4 tetrahedra, edges with six equivalent Li(1)Te6 octahedra, and edges with three equivalent Mn(1)Te4 tetrahedra. Mn(1) is bonded to one Te(1) and three equivalent Te(2) atoms to form MnTe4 tetrahedra that share corners with six equivalent Li(1)Te6 octahedra, corners with six equivalent Mn(1)Te4 tetrahedra, and edges with three equivalent Li(1)Te6 octahedra. The corner-sharing octahedral tilt angles range from 15-59°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to three equivalent Li(1) and one Mn(1) atom to form distorted TeLi3Mn trigonal pyramids that share corners with six equivalent Te(2)Li3Mn3 octahedra, corners with six equivalent Te(1)Li3Mn trigonal pyramids, and edges with three equivalent Te(2)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 10-65°. In the second Te site, Te(2) is bonded to three equivalent Li(1) and three equivalent Mn(1) atoms to form TeLi3Mn3 octahedra that share corners with six equivalent Te(1)Li3Mn trigonal pyramids, edges with six equivalent Te(2)Li3Mn3 octahedra, and edges with three equivalent Te(1)Li3Mn trigonal pyramids. is represented by the CIF card [CIF]
data_LiMnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.241
_cell_length_b   4.241
_cell_length_c   7.213
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   112.343
_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
  Li  Li0  1  0.667  0.333  0.797  1.0
  Mn  Mn1  1  0.000  0.000  0.349  1.0
  Te  Te2  1  0.000  0.000  0.997  1.0
  Te  Te3  1  0.333  0.667  0.510  1.0
[/CIF]
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