The material structure described by Mg3TeO6 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. Mg(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MgO6 pentagonal pyramids that share  a cornercorner with one Te(1)O6 octahedra,  a cornercorner with one Te(2)O6 octahedra, corners with four equivalent Mg(1)O6 pentagonal pyramids,  an edgeedge with one Te(1)O6 octahedra,  an edgeedge with one Te(2)O6 octahedra, and edges with four equivalent Mg(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 37-43°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to six equivalent O(2) atoms to form TeO6 octahedra that share corners with six equivalent Mg(1)O6 pentagonal pyramids and edges with six equivalent Mg(1)O6 pentagonal pyramids. In the second Te site, Te(2) is bonded to six equivalent O(1) atoms to form TeO6 octahedra that share corners with six equivalent Mg(1)O6 pentagonal pyramids and edges with six equivalent Mg(1)O6 pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mg(1) and one Te(2) atom to form a mixture of distorted edge and corner-sharing OMg3Te tetrahedra. In the second O site, O(2) is bonded to three equivalent Mg(1) and one Te(1) atom to form a mixture of distorted edge and corner-sharing OMg3Te trigonal pyramids. is represented by the CIF file [CIF]
data_Mg3TeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.036
_cell_length_b   6.036
_cell_length_c   6.036
_cell_angle_alpha   90.714
_cell_angle_beta   90.714
_cell_angle_gamma   90.714
_symmetry_Int_Tables_number   1
_cell_volume   219.834
_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
  Mg  Mg0  1  0.447  0.752  0.937  1.0
  Mg  Mg1  1  0.937  0.447  0.752  1.0
  Mg  Mg2  1  0.248  0.063  0.553  1.0
  Mg  Mg3  1  0.063  0.553  0.248  1.0
  Mg  Mg4  1  0.553  0.248  0.063  1.0
  Mg  Mg5  1  0.752  0.937  0.447  1.0
  Te  Te6  1  0.000  0.000  0.000  1.0
  Te  Te7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.410  0.545  0.199  1.0
  O  O9  1  0.545  0.199  0.410  1.0
  O  O10  1  0.199  0.410  0.545  1.0
  O  O11  1  0.590  0.455  0.801  1.0
  O  O12  1  0.455  0.801  0.590  1.0
  O  O13  1  0.801  0.590  0.455  1.0
  O  O14  1  0.930  0.073  0.699  1.0
  O  O15  1  0.073  0.699  0.930  1.0
  O  O16  1  0.301  0.070  0.927  1.0
  O  O17  1  0.927  0.301  0.070  1.0
  O  O18  1  0.070  0.927  0.301  1.0
  O  O19  1  0.699  0.930  0.073  1.0
[/CIF]
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The material structure described by Mg3TeO6 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. Mg(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MgO6 pentagonal pyramids that share  a cornercorner with one Te(1)O6 octahedra,  a cornercorner with one Te(2)O6 octahedra, corners with four equivalent Mg(1)O6 pentagonal pyramids,  an edgeedge with one Te(1)O6 octahedra,  an edgeedge with one Te(2)O6 octahedra, and edges with four equivalent Mg(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 37-43°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to six equivalent O(2) atoms to form TeO6 octahedra that share corners with six equivalent Mg(1)O6 pentagonal pyramids and edges with six equivalent Mg(1)O6 pentagonal pyramids. In the second Te site, Te(2) is bonded to six equivalent O(1) atoms to form TeO6 octahedra that share corners with six equivalent Mg(1)O6 pentagonal pyramids and edges with six equivalent Mg(1)O6 pentagonal pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mg(1) and one Te(2) atom to form a mixture of distorted edge and corner-sharing OMg3Te tetrahedra. In the second O site, O(2) is bonded to three equivalent Mg(1) and one Te(1) atom to form a mixture of distorted edge and corner-sharing OMg3Te trigonal pyramids. is represented by the CIF file [CIF]
data_Mg3TeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.036
_cell_length_b   6.036
_cell_length_c   6.036
_cell_angle_alpha   90.714
_cell_angle_beta   90.714
_cell_angle_gamma   90.714
_symmetry_Int_Tables_number   1
_cell_volume   219.834
_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
  Mg  Mg0  1  0.447  0.752  0.937  1.0
  Mg  Mg1  1  0.937  0.447  0.752  1.0
  Mg  Mg2  1  0.248  0.063  0.553  1.0
  Mg  Mg3  1  0.063  0.553  0.248  1.0
  Mg  Mg4  1  0.553  0.248  0.063  1.0
  Mg  Mg5  1  0.752  0.937  0.447  1.0
  Te  Te6  1  0.000  0.000  0.000  1.0
  Te  Te7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.410  0.545  0.199  1.0
  O  O9  1  0.545  0.199  0.410  1.0
  O  O10  1  0.199  0.410  0.545  1.0
  O  O11  1  0.590  0.455  0.801  1.0
  O  O12  1  0.455  0.801  0.590  1.0
  O  O13  1  0.801  0.590  0.455  1.0
  O  O14  1  0.930  0.073  0.699  1.0
  O  O15  1  0.073  0.699  0.930  1.0
  O  O16  1  0.301  0.070  0.927  1.0
  O  O17  1  0.927  0.301  0.070  1.0
  O  O18  1  0.070  0.927  0.301  1.0
  O  O19  1  0.699  0.930  0.073  1.0
[/CIF]
.