The material structure described by Li4CoTeO6 is beta Polonium-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Te(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Te(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Te(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the fourth Li site, Li(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with three equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. Te(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Co(1), and one Te(1) atom to form a mixture of edge and corner-sharing OLi4CoTe octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Co(1), and one Te(1) atom to form a mixture of edge and corner-sharing OLi4CoTe octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Co(1), and one Te(1) atom to form a mixture of edge and corner-sharing OLi4CoTe octahedra. The corner-sharing octahedral tilt angles range from 2-8°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4CoTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.226
_cell_length_b   5.226
_cell_length_c   5.228
_cell_angle_alpha   79.780
_cell_angle_beta   79.780
_cell_angle_gamma   119.526
_symmetry_Int_Tables_number   1
_cell_volume   116.255
_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  0.829  0.171  0.500  1.0
  Li  Li1  1  0.170  0.830  0.500  1.0
  Li  Li2  1  0.502  0.498  0.500  1.0
  Li  Li3  1  0.666  0.334  0.000  1.0
  Co  Co4  1  0.334  0.666  0.000  1.0
  Te  Te5  1  0.000  1.000  0.000  1.0
  O  O6  1  0.084  0.389  0.766  1.0
  O  O7  1  0.380  0.069  0.764  1.0
  O  O8  1  0.931  0.620  0.236  1.0
  O  O9  1  0.611  0.916  0.234  1.0
  O  O10  1  0.225  0.232  0.224  1.0
  O  O11  1  0.768  0.775  0.776  1.0
[/CIF]
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The material structure described by Li4CoTeO6 is beta Polonium-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Te(1)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Te(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-11°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Te(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the fourth Li site, Li(4) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with three equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-11°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. Te(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TeO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Co(1), and one Te(1) atom to form a mixture of edge and corner-sharing OLi4CoTe octahedra. The corner-sharing octahedral tilt angles range from 2-9°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Co(1), and one Te(1) atom to form a mixture of edge and corner-sharing OLi4CoTe octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Co(1), and one Te(1) atom to form a mixture of edge and corner-sharing OLi4CoTe octahedra. The corner-sharing octahedral tilt angles range from 2-8°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4CoTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.226
_cell_length_b   5.226
_cell_length_c   5.228
_cell_angle_alpha   79.780
_cell_angle_beta   79.780
_cell_angle_gamma   119.526
_symmetry_Int_Tables_number   1
_cell_volume   116.255
_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  0.829  0.171  0.500  1.0
  Li  Li1  1  0.170  0.830  0.500  1.0
  Li  Li2  1  0.502  0.498  0.500  1.0
  Li  Li3  1  0.666  0.334  0.000  1.0
  Co  Co4  1  0.334  0.666  0.000  1.0
  Te  Te5  1  0.000  1.000  0.000  1.0
  O  O6  1  0.084  0.389  0.766  1.0
  O  O7  1  0.380  0.069  0.764  1.0
  O  O8  1  0.931  0.620  0.236  1.0
  O  O9  1  0.611  0.916  0.234  1.0
  O  O10  1  0.225  0.232  0.224  1.0
  O  O11  1  0.768  0.775  0.776  1.0
[/CIF]
.