The material structure described by Li4Cr(TeO4)3 is Ilmenite-derived structured and crystallizes in the monoclinic P2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(6) atoms. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share corners with two equivalent Te(1)O6 octahedra, corners with four equivalent Te(2)O6 octahedra,  an edgeedge with one Te(3)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. Cr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with two equivalent Te(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Te(3)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form TeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Te(3)O6 octahedra, and edges with two equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. In the second Te site, Te(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form TeO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the third Te site, Te(3) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form TeO6 octahedra that share corners with two equivalent Te(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Cr(1), and one Te(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Te(1), and one Te(2) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Cr(1), and one Te(3) atom to form distorted OLi2CrTe trigonal pyramids that share corners with two equivalent O(3)Li2CrTe trigonal pyramids, corners with two equivalent O(5)Li2CrTe trigonal pyramids, corners with two equivalent O(6)Li2Te2 trigonal pyramids,  an edgeedge with one O(3)Li2CrTe trigonal pyramid,  an edgeedge with one O(5)Li2CrTe trigonal pyramid, and edges with two equivalent O(6)Li2Te2 trigonal pyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Te(1), and one Te(2) atom. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one Cr(1), and one Te(3) atom to form distorted OLi2CrTe trigonal pyramids that share corners with two equivalent O(3)Li2CrTe trigonal pyramids, corners with two equivalent O(5)Li2CrTe trigonal pyramids, corners with two equivalent O(6)Li2Te2 trigonal pyramids,  an edgeedge with one O(3)Li2CrTe trigonal pyramid, and  an edgeedge with one O(5)Li2CrTe trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Te(1), and one Te(3) atom to form distorted OLi2Te2 trigonal pyramids that share corners with two equivalent O(3)Li2CrTe trigonal pyramids, corners with two equivalent O(5)Li2CrTe trigonal pyramids, corners with four equivalent O(6)Li2Te2 trigonal pyramids, and edges with two equivalent O(3)Li2CrTe trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Cr(TeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.608
_cell_length_b   5.033
_cell_length_c   5.223
_cell_angle_alpha   89.384
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   226.279
_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  0.290  0.000  0.000  1.0
  Li  Li1  1  0.153  0.500  0.000  1.0
  Li  Li2  1  0.702  0.000  0.500  1.0
  Li  Li3  1  0.820  0.500  0.500  1.0
  Cr  Cr4  1  0.900  0.000  0.000  1.0
  Te  Te5  1  0.394  0.500  0.500  1.0
  Te  Te6  1  0.602  0.500  0.000  1.0
  Te  Te7  1  0.074  0.000  0.500  1.0
  O  O8  1  0.744  0.262  0.840  1.0
  O  O9  1  0.423  0.295  0.838  1.0
  O  O10  1  0.075  0.200  0.815  1.0
  O  O11  1  0.574  0.707  0.679  1.0
  O  O12  1  0.911  0.798  0.672  1.0
  O  O13  1  0.236  0.766  0.663  1.0
  O  O14  1  0.236  0.234  0.337  1.0
  O  O15  1  0.911  0.202  0.328  1.0
  O  O16  1  0.574  0.293  0.321  1.0
  O  O17  1  0.075  0.800  0.185  1.0
  O  O18  1  0.423  0.705  0.162  1.0
  O  O19  1  0.744  0.738  0.160  1.0
[/CIF]
.
The material structure described by Li4Cr(TeO4)3 is Ilmenite-derived structured and crystallizes in the monoclinic P2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(6) atoms. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form distorted LiO6 octahedra that share corners with two equivalent Te(1)O6 octahedra, corners with four equivalent Te(2)O6 octahedra,  an edgeedge with one Te(3)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-56°. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. Cr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with two equivalent Te(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Te(3)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are three inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form TeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Te(3)O6 octahedra, and edges with two equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. In the second Te site, Te(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form TeO6 octahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Li(3)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. In the third Te site, Te(3) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms to form TeO6 octahedra that share corners with two equivalent Te(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Cr(1), and one Te(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Te(1), and one Te(2) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Cr(1), and one Te(3) atom to form distorted OLi2CrTe trigonal pyramids that share corners with two equivalent O(3)Li2CrTe trigonal pyramids, corners with two equivalent O(5)Li2CrTe trigonal pyramids, corners with two equivalent O(6)Li2Te2 trigonal pyramids,  an edgeedge with one O(3)Li2CrTe trigonal pyramid,  an edgeedge with one O(5)Li2CrTe trigonal pyramid, and edges with two equivalent O(6)Li2Te2 trigonal pyramids. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one Te(1), and one Te(2) atom. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one Cr(1), and one Te(3) atom to form distorted OLi2CrTe trigonal pyramids that share corners with two equivalent O(3)Li2CrTe trigonal pyramids, corners with two equivalent O(5)Li2CrTe trigonal pyramids, corners with two equivalent O(6)Li2Te2 trigonal pyramids,  an edgeedge with one O(3)Li2CrTe trigonal pyramid, and  an edgeedge with one O(5)Li2CrTe trigonal pyramid. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Te(1), and one Te(3) atom to form distorted OLi2Te2 trigonal pyramids that share corners with two equivalent O(3)Li2CrTe trigonal pyramids, corners with two equivalent O(5)Li2CrTe trigonal pyramids, corners with four equivalent O(6)Li2Te2 trigonal pyramids, and edges with two equivalent O(3)Li2CrTe trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Cr(TeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.608
_cell_length_b   5.033
_cell_length_c   5.223
_cell_angle_alpha   89.384
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   226.279
_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  0.290  0.000  0.000  1.0
  Li  Li1  1  0.153  0.500  0.000  1.0
  Li  Li2  1  0.702  0.000  0.500  1.0
  Li  Li3  1  0.820  0.500  0.500  1.0
  Cr  Cr4  1  0.900  0.000  0.000  1.0
  Te  Te5  1  0.394  0.500  0.500  1.0
  Te  Te6  1  0.602  0.500  0.000  1.0
  Te  Te7  1  0.074  0.000  0.500  1.0
  O  O8  1  0.744  0.262  0.840  1.0
  O  O9  1  0.423  0.295  0.838  1.0
  O  O10  1  0.075  0.200  0.815  1.0
  O  O11  1  0.574  0.707  0.679  1.0
  O  O12  1  0.911  0.798  0.672  1.0
  O  O13  1  0.236  0.766  0.663  1.0
  O  O14  1  0.236  0.234  0.337  1.0
  O  O15  1  0.911  0.202  0.328  1.0
  O  O16  1  0.574  0.293  0.321  1.0
  O  O17  1  0.075  0.800  0.185  1.0
  O  O18  1  0.423  0.705  0.162  1.0
  O  O19  1  0.744  0.738  0.160  1.0
[/CIF]
.