The material described by Li3Mn3TeO8 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) 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 six equivalent Mn(1)O6 octahedra, edges with two equivalent Te(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the second Li site, Li(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Te(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. Te(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form TeO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), one Mn(1), and two equivalent Mn(2) atoms to form distorted OLi3Mn3 octahedra that share corners with six equivalent O(1)Li3Mn3 octahedra, edges with four equivalent O(2)Li2Mn2Te square pyramids, edges with four equivalent O(3)Li2Mn2Te square pyramids, and edges with four equivalent O(4)Li2Mn2Te square pyramids. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(2) is bonded to two equivalent Li(2), two equivalent Mn(2), and one Te(1) atom to form OLi2Mn2Te square pyramids that share corners with two equivalent O(3)Li2Mn2Te square pyramids, corners with two equivalent O(4)Li2Mn2Te square pyramids, corners with five equivalent O(2)Li2Mn2Te square pyramids, edges with four equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(3)Li2Mn2Te square pyramids, and edges with two equivalent O(4)Li2Mn2Te square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), and one Te(1) atom to form OLi2Mn2Te square pyramids that share  a cornercorner with one O(3)Li2Mn2Te square pyramid, corners with two equivalent O(2)Li2Mn2Te square pyramids, corners with six equivalent O(4)Li2Mn2Te square pyramids, edges with four equivalent O(1)Li3Mn3 octahedra,  an edgeedge with one O(3)Li2Mn2Te square pyramid,  an edgeedge with one O(4)Li2Mn2Te square pyramid, and edges with two equivalent O(2)Li2Mn2Te square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), and one Te(1) atom to form OLi2Mn2Te square pyramids that share  a cornercorner with one O(4)Li2Mn2Te square pyramid, corners with two equivalent O(2)Li2Mn2Te square pyramids, corners with six equivalent O(3)Li2Mn2Te square pyramids, edges with four equivalent O(1)Li3Mn3 octahedra,  an edgeedge with one O(3)Li2Mn2Te square pyramid,  an edgeedge with one O(4)Li2Mn2Te square pyramid, and edges with two equivalent O(2)Li2Mn2Te square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Mn3TeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.124
_cell_length_b   6.130
_cell_length_c   6.139
_cell_angle_alpha   61.802
_cell_angle_beta   61.865
_cell_angle_gamma   61.461
_symmetry_Int_Tables_number   1
_cell_volume   169.195
_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  0.997  0.003  0.500  1.0
  Li  Li1  1  0.998  0.501  1.000  1.0
  Li  Li2  1  0.499  0.002  0.000  1.0
  Mn  Mn3  1  0.499  0.500  0.000  1.0
  Mn  Mn4  1  0.500  0.995  0.502  1.0
  Mn  Mn5  1  0.005  0.500  0.498  1.0
  O  O6  1  0.283  0.280  0.229  1.0
  O  O7  1  0.720  0.716  0.771  1.0
  O  O8  1  0.779  0.778  0.218  1.0
  O  O9  1  0.772  0.219  0.778  1.0
  O  O10  1  0.217  0.772  0.781  1.0
  O  O11  1  0.222  0.220  0.782  1.0
  O  O12  1  0.228  0.783  0.220  1.0
  O  O13  1  0.781  0.228  0.221  1.0
  Te  Te14  1  0.999  0.001  1.000  1.0
[/CIF]
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The material described by Li3Mn3TeO8 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) 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 six equivalent Mn(1)O6 octahedra, edges with two equivalent Te(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the second Li site, Li(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Te(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-15°. Te(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form TeO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), one Mn(1), and two equivalent Mn(2) atoms to form distorted OLi3Mn3 octahedra that share corners with six equivalent O(1)Li3Mn3 octahedra, edges with four equivalent O(2)Li2Mn2Te square pyramids, edges with four equivalent O(3)Li2Mn2Te square pyramids, and edges with four equivalent O(4)Li2Mn2Te square pyramids. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(2) is bonded to two equivalent Li(2), two equivalent Mn(2), and one Te(1) atom to form OLi2Mn2Te square pyramids that share corners with two equivalent O(3)Li2Mn2Te square pyramids, corners with two equivalent O(4)Li2Mn2Te square pyramids, corners with five equivalent O(2)Li2Mn2Te square pyramids, edges with four equivalent O(1)Li3Mn3 octahedra, edges with two equivalent O(3)Li2Mn2Te square pyramids, and edges with two equivalent O(4)Li2Mn2Te square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), and one Te(1) atom to form OLi2Mn2Te square pyramids that share  a cornercorner with one O(3)Li2Mn2Te square pyramid, corners with two equivalent O(2)Li2Mn2Te square pyramids, corners with six equivalent O(4)Li2Mn2Te square pyramids, edges with four equivalent O(1)Li3Mn3 octahedra,  an edgeedge with one O(3)Li2Mn2Te square pyramid,  an edgeedge with one O(4)Li2Mn2Te square pyramid, and edges with two equivalent O(2)Li2Mn2Te square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Mn(1), one Mn(2), and one Te(1) atom to form OLi2Mn2Te square pyramids that share  a cornercorner with one O(4)Li2Mn2Te square pyramid, corners with two equivalent O(2)Li2Mn2Te square pyramids, corners with six equivalent O(3)Li2Mn2Te square pyramids, edges with four equivalent O(1)Li3Mn3 octahedra,  an edgeedge with one O(3)Li2Mn2Te square pyramid,  an edgeedge with one O(4)Li2Mn2Te square pyramid, and edges with two equivalent O(2)Li2Mn2Te square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3Mn3TeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.124
_cell_length_b   6.130
_cell_length_c   6.139
_cell_angle_alpha   61.802
_cell_angle_beta   61.865
_cell_angle_gamma   61.461
_symmetry_Int_Tables_number   1
_cell_volume   169.195
_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  0.997  0.003  0.500  1.0
  Li  Li1  1  0.998  0.501  1.000  1.0
  Li  Li2  1  0.499  0.002  0.000  1.0
  Mn  Mn3  1  0.499  0.500  0.000  1.0
  Mn  Mn4  1  0.500  0.995  0.502  1.0
  Mn  Mn5  1  0.005  0.500  0.498  1.0
  O  O6  1  0.283  0.280  0.229  1.0
  O  O7  1  0.720  0.716  0.771  1.0
  O  O8  1  0.779  0.778  0.218  1.0
  O  O9  1  0.772  0.219  0.778  1.0
  O  O10  1  0.217  0.772  0.781  1.0
  O  O11  1  0.222  0.220  0.782  1.0
  O  O12  1  0.228  0.783  0.220  1.0
  O  O13  1  0.781  0.228  0.221  1.0
  Te  Te14  1  0.999  0.001  1.000  1.0
[/CIF]
.