The compound 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 Zn(1)O6 octahedra, edges with six equivalent Ti(1)O6 octahedra, and faces with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with nine equivalent Zn(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. Zn(1) is bonded to six equivalent O(1) atoms to form ZnO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with nine equivalent Ti(1)O6 octahedra, edges with three equivalent Zn(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. O(1) is bonded to one Mg(1), two equivalent Ti(1), and two equivalent Zn(1) atoms to form a mixture of distorted corner and edge-sharing OMgTi2Zn2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2Zn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.914
_cell_length_b   5.914
_cell_length_c   5.914
_cell_angle_alpha   51.673
_cell_angle_beta   51.673
_cell_angle_gamma   51.673
_symmetry_Int_Tables_number   1
_cell_volume   117.588
_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  0.500  0.500  0.500  1.0
  Ti  Ti1  1  0.150  0.150  0.150  1.0
  Ti  Ti2  1  0.850  0.850  0.850  1.0
  Zn  Zn3  1  0.330  0.330  0.330  1.0
  Zn  Zn4  1  0.670  0.670  0.670  1.0
  O  O5  1  0.745  0.443  0.085  1.0
  O  O6  1  0.443  0.085  0.745  1.0
  O  O7  1  0.085  0.745  0.443  1.0
  O  O8  1  0.255  0.557  0.915  1.0
  O  O9  1  0.915  0.255  0.557  1.0
  O  O10  1  0.557  0.915  0.255  1.0
[/CIF]
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The compound 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 Zn(1)O6 octahedra, edges with six equivalent Ti(1)O6 octahedra, and faces with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. Ti(1) is bonded to six equivalent O(1) atoms to form TiO6 octahedra that share corners with nine equivalent Zn(1)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. Zn(1) is bonded to six equivalent O(1) atoms to form ZnO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with nine equivalent Ti(1)O6 octahedra, edges with three equivalent Zn(1)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. O(1) is bonded to one Mg(1), two equivalent Ti(1), and two equivalent Zn(1) atoms to form a mixture of distorted corner and edge-sharing OMgTi2Zn2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2Zn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.914
_cell_length_b   5.914
_cell_length_c   5.914
_cell_angle_alpha   51.673
_cell_angle_beta   51.673
_cell_angle_gamma   51.673
_symmetry_Int_Tables_number   1
_cell_volume   117.588
_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  0.500  0.500  0.500  1.0
  Ti  Ti1  1  0.150  0.150  0.150  1.0
  Ti  Ti2  1  0.850  0.850  0.850  1.0
  Zn  Zn3  1  0.330  0.330  0.330  1.0
  Zn  Zn4  1  0.670  0.670  0.670  1.0
  O  O5  1  0.745  0.443  0.085  1.0
  O  O6  1  0.443  0.085  0.745  1.0
  O  O7  1  0.085  0.745  0.443  1.0
  O  O8  1  0.255  0.557  0.915  1.0
  O  O9  1  0.915  0.255  0.557  1.0
  O  O10  1  0.557  0.915  0.255  1.0
[/CIF]
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