The crystal structure described by MgTi2Zn2O6 crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra and faces with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. Zn(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. O(1) is bonded to one Mg(1), two equivalent Ti(1), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OMgTi2Zn tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2Zn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.037
_cell_length_b   6.037
_cell_length_c   6.037
_cell_angle_alpha   50.768
_cell_angle_beta   50.768
_cell_angle_gamma   50.768
_symmetry_Int_Tables_number   1
_cell_volume   121.704
_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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Ti  Ti1  1  0.177  0.177  0.177  1.0
  Ti  Ti2  1  0.823  0.823  0.823  1.0
  Zn  Zn3  1  0.390  0.390  0.390  1.0
  Zn  Zn4  1  0.610  0.610  0.610  1.0
  O  O5  1  0.798  0.411  0.055  1.0
  O  O6  1  0.411  0.055  0.798  1.0
  O  O7  1  0.055  0.798  0.411  1.0
  O  O8  1  0.202  0.589  0.945  1.0
  O  O9  1  0.945  0.202  0.589  1.0
  O  O10  1  0.589  0.945  0.202  1.0
[/CIF]
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The crystal structure described by MgTi2Zn2O6 crystallizes in the trigonal R-3 space group. Mg(1) is bonded to six equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra and faces with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. Zn(1) is bonded in a trigonal non-coplanar geometry to three equivalent O(1) atoms. O(1) is bonded to one Mg(1), two equivalent Ti(1), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OMgTi2Zn tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2Zn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.037
_cell_length_b   6.037
_cell_length_c   6.037
_cell_angle_alpha   50.768
_cell_angle_beta   50.768
_cell_angle_gamma   50.768
_symmetry_Int_Tables_number   1
_cell_volume   121.704
_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
  Mg  Mg0  1  0.000  0.000  0.000  1.0
  Ti  Ti1  1  0.177  0.177  0.177  1.0
  Ti  Ti2  1  0.823  0.823  0.823  1.0
  Zn  Zn3  1  0.390  0.390  0.390  1.0
  Zn  Zn4  1  0.610  0.610  0.610  1.0
  O  O5  1  0.798  0.411  0.055  1.0
  O  O6  1  0.411  0.055  0.798  1.0
  O  O7  1  0.055  0.798  0.411  1.0
  O  O8  1  0.202  0.589  0.945  1.0
  O  O9  1  0.945  0.202  0.589  1.0
  O  O10  1  0.589  0.945  0.202  1.0
[/CIF]
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