The material described by Li2SnTeO6 is Ilmenite-derived structured and crystallizes in the orthorhombic Pnn2 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(2), and two equivalent O(3) atoms to form distorted LiO6 pentagonal pyramids that share corners with two equivalent Sn(1)O6 octahedra, corners with four equivalent Te(1)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-62°. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Sn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SnO6 octahedra that share corners with two equivalent Te(1)O6 octahedra, corners with two equivalent Li(1)O6 pentagonal pyramids, edges with two equivalent Te(1)O6 octahedra, and edges with two equivalent Li(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 50°. 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 Sn(1)O6 octahedra, corners with four equivalent Li(1)O6 pentagonal pyramids, edges with two equivalent Sn(1)O6 octahedra, and  an edgeedge with one Li(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 50°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Sn(1), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OLi2SnTe trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Sn(1), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OLi2SnTe trigonal pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Sn(1), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OLi2SnTe trigonal pyramids. is represented by the CIF file [CIF]
data_Li2SnTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.013
_cell_length_b   5.285
_cell_length_c   8.637
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.830
_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  0.000  0.000  0.304  1.0
  Li  Li1  1  0.500  0.500  0.804  1.0
  Li  Li2  1  0.500  0.000  0.190  1.0
  Li  Li3  1  0.000  0.500  0.690  1.0
  Sn  Sn4  1  0.500  0.000  0.596  1.0
  Sn  Sn5  1  0.000  0.500  0.096  1.0
  Te  Te6  1  0.000  0.000  0.905  1.0
  Te  Te7  1  0.500  0.500  0.405  1.0
  O  O8  1  0.795  0.839  0.074  1.0
  O  O9  1  0.705  0.339  0.574  1.0
  O  O10  1  0.295  0.661  0.574  1.0
  O  O11  1  0.734  0.339  0.252  1.0
  O  O12  1  0.766  0.839  0.752  1.0
  O  O13  1  0.234  0.161  0.752  1.0
  O  O14  1  0.794  0.311  0.911  1.0
  O  O15  1  0.266  0.661  0.252  1.0
  O  O16  1  0.294  0.189  0.411  1.0
  O  O17  1  0.206  0.689  0.911  1.0
  O  O18  1  0.706  0.811  0.411  1.0
  O  O19  1  0.205  0.161  0.074  1.0
[/CIF]
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The material described by Li2SnTeO6 is Ilmenite-derived structured and crystallizes in the orthorhombic Pnn2 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(2), and two equivalent O(3) atoms to form distorted LiO6 pentagonal pyramids that share corners with two equivalent Sn(1)O6 octahedra, corners with four equivalent Te(1)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-62°. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Sn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SnO6 octahedra that share corners with two equivalent Te(1)O6 octahedra, corners with two equivalent Li(1)O6 pentagonal pyramids, edges with two equivalent Te(1)O6 octahedra, and edges with two equivalent Li(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 50°. 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 Sn(1)O6 octahedra, corners with four equivalent Li(1)O6 pentagonal pyramids, edges with two equivalent Sn(1)O6 octahedra, and  an edgeedge with one Li(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 50°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Sn(1), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OLi2SnTe trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Sn(1), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OLi2SnTe trigonal pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Sn(1), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OLi2SnTe trigonal pyramids. is represented by the CIF file [CIF]
data_Li2SnTeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.013
_cell_length_b   5.285
_cell_length_c   8.637
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   228.830
_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  0.000  0.000  0.304  1.0
  Li  Li1  1  0.500  0.500  0.804  1.0
  Li  Li2  1  0.500  0.000  0.190  1.0
  Li  Li3  1  0.000  0.500  0.690  1.0
  Sn  Sn4  1  0.500  0.000  0.596  1.0
  Sn  Sn5  1  0.000  0.500  0.096  1.0
  Te  Te6  1  0.000  0.000  0.905  1.0
  Te  Te7  1  0.500  0.500  0.405  1.0
  O  O8  1  0.795  0.839  0.074  1.0
  O  O9  1  0.705  0.339  0.574  1.0
  O  O10  1  0.295  0.661  0.574  1.0
  O  O11  1  0.734  0.339  0.252  1.0
  O  O12  1  0.766  0.839  0.752  1.0
  O  O13  1  0.234  0.161  0.752  1.0
  O  O14  1  0.794  0.311  0.911  1.0
  O  O15  1  0.266  0.661  0.252  1.0
  O  O16  1  0.294  0.189  0.411  1.0
  O  O17  1  0.206  0.689  0.911  1.0
  O  O18  1  0.706  0.811  0.411  1.0
  O  O19  1  0.205  0.161  0.074  1.0
[/CIF]
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