The structure described by Li4TeO5 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with three equivalent Te(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Te(1)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Te(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) 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(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with four equivalent Li(4)O6 octahedra, and edges with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the fourth Li site, Li(4) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, corners with three equivalent Li(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-17°. In the fifth Li site, Li(5) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. Te(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form TeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(5), two equivalent Li(4), and one Te(1) atom to form OLi5Te octahedra that share  a cornercorner with one O(3)Li4Te2 octahedra,  a cornercorner with one O(1)Li5Te octahedra,  a cornercorner with one O(4)Li5Te octahedra,  a cornercorner with one O(5)Li5Te octahedra, corners with two equivalent O(2)Li5Te octahedra,  an edgeedge with one O(1)Li5Te octahedra, edges with two equivalent O(2)Li5Te octahedra, edges with two equivalent O(5)Li5Te octahedra, edges with three equivalent O(4)Li5Te octahedra, and edges with four equivalent O(3)Li4Te2 octahedra. The corner-sharing octahedral tilt angles range from 0-18°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(4), two equivalent Li(5), and one Te(1) atom to form OLi5Te octahedra that share  a cornercorner with one O(3)Li4Te2 octahedra,  a cornercorner with one O(2)Li5Te octahedra,  a cornercorner with one O(4)Li5Te octahedra,  a cornercorner with one O(5)Li5Te octahedra, corners with two equivalent O(1)Li5Te octahedra,  an edgeedge with one O(2)Li5Te octahedra, edges with two equivalent O(3)Li4Te2 octahedra, edges with two equivalent O(1)Li5Te octahedra, edges with three equivalent O(4)Li5Te octahedra, and edges with four equivalent O(5)Li5Te octahedra. The corner-sharing octahedral tilt angles range from 0-18°. In the third O site, O(3) is bonded to one Li(1), one Li(3), two equivalent Li(4), and two equivalent Te(1) atoms to form OLi4Te2 octahedra that share  a cornercorner with one O(3)Li4Te2 octahedra,  a cornercorner with one O(1)Li5Te octahedra,  a cornercorner with one O(2)Li5Te octahedra,  a cornercorner with one O(4)Li5Te octahedra, corners with two equivalent O(5)Li5Te octahedra,  an edgeedge with one O(5)Li5Te octahedra, edges with two equivalent O(3)Li4Te2 octahedra, edges with two equivalent O(2)Li5Te octahedra, edges with three equivalent O(4)Li5Te octahedra, and edges with four equivalent O(1)Li5Te octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), and one Te(1) atom to form OLi5Te octahedra that share  a cornercorner with one O(3)Li4Te2 octahedra,  a cornercorner with one O(1)Li5Te octahedra,  a cornercorner with one O(2)Li5Te octahedra,  a cornercorner with one O(5)Li5Te octahedra, corners with two equivalent O(4)Li5Te octahedra, edges with three equivalent O(3)Li4Te2 octahedra, edges with three equivalent O(1)Li5Te octahedra, edges with three equivalent O(2)Li5Te octahedra, and edges with three equivalent O(5)Li5Te octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Li(1), two equivalent Li(5), and one Te(1) atom to form OLi5Te octahedra that share  a cornercorner with one O(1)Li5Te octahedra,  a cornercorner with one O(2)Li5Te octahedra,  a cornercorner with one O(4)Li5Te octahedra,  a cornercorner with one O(5)Li5Te octahedra, corners with two equivalent O(3)Li4Te2 octahedra,  an edgeedge with one O(3)Li4Te2 octahedra, edges with two equivalent O(1)Li5Te octahedra, edges with two equivalent O(5)Li5Te octahedra, edges with three equivalent O(4)Li5Te octahedra, and edges with four equivalent O(2)Li5Te octahedra. The corner-sharing octahedral tilt angles range from 0-14°. is represented by the CIF card [CIF]
data_Li4TeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.085
_cell_length_b   5.142
_cell_length_c   7.725
_cell_angle_alpha   107.718
_cell_angle_beta   102.025
_cell_angle_gamma   101.667
_symmetry_Int_Tables_number   1
_cell_volume   180.360
_cell_formula_units_Z   2
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  0.426  0.805  0.320  1.0
  Li  Li1  1  0.574  0.195  0.680  1.0
  Li  Li2  1  0.000  0.000  0.500  1.0
  Li  Li3  1  0.500  0.000  0.000  1.0
  Li  Li4  1  0.230  0.394  0.888  1.0
  Li  Li5  1  0.770  0.606  0.112  1.0
  Li  Li6  1  0.296  0.615  0.604  1.0
  Li  Li7  1  0.704  0.385  0.396  1.0
  Te  Te8  1  0.891  0.789  0.788  1.0
  Te  Te9  1  0.109  0.211  0.212  1.0
  O  O10  1  0.575  0.610  0.847  1.0
  O  O11  1  0.425  0.390  0.153  1.0
  O  O12  1  0.051  0.563  0.331  1.0
  O  O13  1  0.949  0.437  0.669  1.0
  O  O14  1  0.132  0.831  0.044  1.0
  O  O15  1  0.868  0.169  0.956  1.0
  O  O16  1  0.220  0.990  0.751  1.0
  O  O17  1  0.780  0.010  0.249  1.0
  O  O18  1  0.337  0.183  0.428  1.0
  O  O19  1  0.663  0.817  0.572  1.0
[/CIF]
.
The structure described by Li4TeO5 is Caswellsilverite-like structured and crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with three equivalent Te(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Te(1)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Te(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) 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(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with four equivalent Li(4)O6 octahedra, and edges with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. In the fourth Li site, Li(4) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, corners with three equivalent Li(5)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-17°. In the fifth Li site, Li(5) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. Te(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form TeO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent Li(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(3), one Li(5), two equivalent Li(4), and one Te(1) atom to form OLi5Te octahedra that share  a cornercorner with one O(3)Li4Te2 octahedra,  a cornercorner with one O(1)Li5Te octahedra,  a cornercorner with one O(4)Li5Te octahedra,  a cornercorner with one O(5)Li5Te octahedra, corners with two equivalent O(2)Li5Te octahedra,  an edgeedge with one O(1)Li5Te octahedra, edges with two equivalent O(2)Li5Te octahedra, edges with two equivalent O(5)Li5Te octahedra, edges with three equivalent O(4)Li5Te octahedra, and edges with four equivalent O(3)Li4Te2 octahedra. The corner-sharing octahedral tilt angles range from 0-18°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Li(4), two equivalent Li(5), and one Te(1) atom to form OLi5Te octahedra that share  a cornercorner with one O(3)Li4Te2 octahedra,  a cornercorner with one O(2)Li5Te octahedra,  a cornercorner with one O(4)Li5Te octahedra,  a cornercorner with one O(5)Li5Te octahedra, corners with two equivalent O(1)Li5Te octahedra,  an edgeedge with one O(2)Li5Te octahedra, edges with two equivalent O(3)Li4Te2 octahedra, edges with two equivalent O(1)Li5Te octahedra, edges with three equivalent O(4)Li5Te octahedra, and edges with four equivalent O(5)Li5Te octahedra. The corner-sharing octahedral tilt angles range from 0-18°. In the third O site, O(3) is bonded to one Li(1), one Li(3), two equivalent Li(4), and two equivalent Te(1) atoms to form OLi4Te2 octahedra that share  a cornercorner with one O(3)Li4Te2 octahedra,  a cornercorner with one O(1)Li5Te octahedra,  a cornercorner with one O(2)Li5Te octahedra,  a cornercorner with one O(4)Li5Te octahedra, corners with two equivalent O(5)Li5Te octahedra,  an edgeedge with one O(5)Li5Te octahedra, edges with two equivalent O(3)Li4Te2 octahedra, edges with two equivalent O(2)Li5Te octahedra, edges with three equivalent O(4)Li5Te octahedra, and edges with four equivalent O(1)Li5Te octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), and one Te(1) atom to form OLi5Te octahedra that share  a cornercorner with one O(3)Li4Te2 octahedra,  a cornercorner with one O(1)Li5Te octahedra,  a cornercorner with one O(2)Li5Te octahedra,  a cornercorner with one O(5)Li5Te octahedra, corners with two equivalent O(4)Li5Te octahedra, edges with three equivalent O(3)Li4Te2 octahedra, edges with three equivalent O(1)Li5Te octahedra, edges with three equivalent O(2)Li5Te octahedra, and edges with three equivalent O(5)Li5Te octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Li(1), two equivalent Li(5), and one Te(1) atom to form OLi5Te octahedra that share  a cornercorner with one O(1)Li5Te octahedra,  a cornercorner with one O(2)Li5Te octahedra,  a cornercorner with one O(4)Li5Te octahedra,  a cornercorner with one O(5)Li5Te octahedra, corners with two equivalent O(3)Li4Te2 octahedra,  an edgeedge with one O(3)Li4Te2 octahedra, edges with two equivalent O(1)Li5Te octahedra, edges with two equivalent O(5)Li5Te octahedra, edges with three equivalent O(4)Li5Te octahedra, and edges with four equivalent O(2)Li5Te octahedra. The corner-sharing octahedral tilt angles range from 0-14°. is represented by the CIF card [CIF]
data_Li4TeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.085
_cell_length_b   5.142
_cell_length_c   7.725
_cell_angle_alpha   107.718
_cell_angle_beta   102.025
_cell_angle_gamma   101.667
_symmetry_Int_Tables_number   1
_cell_volume   180.360
_cell_formula_units_Z   2
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  0.426  0.805  0.320  1.0
  Li  Li1  1  0.574  0.195  0.680  1.0
  Li  Li2  1  0.000  0.000  0.500  1.0
  Li  Li3  1  0.500  0.000  0.000  1.0
  Li  Li4  1  0.230  0.394  0.888  1.0
  Li  Li5  1  0.770  0.606  0.112  1.0
  Li  Li6  1  0.296  0.615  0.604  1.0
  Li  Li7  1  0.704  0.385  0.396  1.0
  Te  Te8  1  0.891  0.789  0.788  1.0
  Te  Te9  1  0.109  0.211  0.212  1.0
  O  O10  1  0.575  0.610  0.847  1.0
  O  O11  1  0.425  0.390  0.153  1.0
  O  O12  1  0.051  0.563  0.331  1.0
  O  O13  1  0.949  0.437  0.669  1.0
  O  O14  1  0.132  0.831  0.044  1.0
  O  O15  1  0.868  0.169  0.956  1.0
  O  O16  1  0.220  0.990  0.751  1.0
  O  O17  1  0.780  0.010  0.249  1.0
  O  O18  1  0.337  0.183  0.428  1.0
  O  O19  1  0.663  0.817  0.572  1.0
[/CIF]
.