The material structure described by Li2Cr3TeO8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to one O(1) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent Te(1)O6 octahedra and corners with nine equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Te(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. Te(1) is bonded to six equivalent O(2) atoms to form TeO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and edges with six equivalent Cr(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Cr(1) atoms to form distorted corner-sharing OLiCr3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Cr(1), and one Te(1) atom. is represented by the CIF card [CIF]
data_Li2Cr3TeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.153
_cell_length_b   6.153
_cell_length_c   6.153
_cell_angle_alpha   58.566
_cell_angle_beta   58.566
_cell_angle_gamma   58.566
_symmetry_Int_Tables_number   1
_cell_volume   159.322
_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  0.872  0.872  0.872  1.0
  Li  Li1  1  0.128  0.128  0.128  1.0
  Cr  Cr2  1  0.500  0.500  0.000  1.0
  Cr  Cr3  1  0.000  0.500  0.500  1.0
  Cr  Cr4  1  0.500  0.000  0.500  1.0
  Te  Te5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.734  0.734  0.734  1.0
  O  O7  1  0.741  0.285  0.741  1.0
  O  O8  1  0.285  0.741  0.741  1.0
  O  O9  1  0.741  0.741  0.285  1.0
  O  O10  1  0.259  0.259  0.715  1.0
  O  O11  1  0.715  0.259  0.259  1.0
  O  O12  1  0.259  0.715  0.259  1.0
  O  O13  1  0.266  0.266  0.266  1.0
[/CIF]
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The material structure described by Li2Cr3TeO8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to one O(1) and three equivalent O(2) atoms to form LiO4 tetrahedra that share corners with three equivalent Te(1)O6 octahedra and corners with nine equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-63°. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Te(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. Te(1) is bonded to six equivalent O(2) atoms to form TeO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and edges with six equivalent Cr(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent Cr(1) atoms to form distorted corner-sharing OLiCr3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Cr(1), and one Te(1) atom. is represented by the CIF card [CIF]
data_Li2Cr3TeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.153
_cell_length_b   6.153
_cell_length_c   6.153
_cell_angle_alpha   58.566
_cell_angle_beta   58.566
_cell_angle_gamma   58.566
_symmetry_Int_Tables_number   1
_cell_volume   159.322
_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  0.872  0.872  0.872  1.0
  Li  Li1  1  0.128  0.128  0.128  1.0
  Cr  Cr2  1  0.500  0.500  0.000  1.0
  Cr  Cr3  1  0.000  0.500  0.500  1.0
  Cr  Cr4  1  0.500  0.000  0.500  1.0
  Te  Te5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.734  0.734  0.734  1.0
  O  O7  1  0.741  0.285  0.741  1.0
  O  O8  1  0.285  0.741  0.741  1.0
  O  O9  1  0.741  0.741  0.285  1.0
  O  O10  1  0.259  0.259  0.715  1.0
  O  O11  1  0.715  0.259  0.259  1.0
  O  O12  1  0.259  0.715  0.259  1.0
  O  O13  1  0.266  0.266  0.266  1.0
[/CIF]
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