The material structure described by MgTi2Zn4O8 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with four equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with four equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the second Ti site, Ti(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form TiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Zn(2)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(3) atoms. In the second Zn site, Zn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(1), one Zn(1), and two equivalent Zn(2) atoms to form distorted OMgTiZn3 square pyramids that share corners with two equivalent O(3)MgTi2Zn2 square pyramids, corners with four equivalent O(1)MgTiZn3 square pyramids, corners with three equivalent O(2)TiZn3 tetrahedra, edges with six equivalent O(3)MgTi2Zn2 square pyramids, and  an edgeedge with one O(2)TiZn3 tetrahedra. In the second O site, O(2) is bonded to one Ti(2), one Zn(1), and two equivalent Zn(2) atoms to form OTiZn3 tetrahedra that share corners with three equivalent O(1)MgTiZn3 square pyramids, corners with six equivalent O(3)MgTi2Zn2 square pyramids, corners with three equivalent O(2)TiZn3 tetrahedra,  an edgeedge with one O(1)MgTiZn3 square pyramid, and edges with two equivalent O(3)MgTi2Zn2 square pyramids. In the third O site, O(3) is bonded to one Mg(1), one Ti(1), one Ti(2), one Zn(1), and one Zn(2) atom to form OMgTi2Zn2 square pyramids that share  a cornercorner with one O(1)MgTiZn3 square pyramid, corners with five equivalent O(3)MgTi2Zn2 square pyramids, corners with three equivalent O(2)TiZn3 tetrahedra, edges with three equivalent O(3)MgTi2Zn2 square pyramids, edges with three equivalent O(1)MgTiZn3 square pyramids, and  an edgeedge with one O(2)TiZn3 tetrahedra. is represented by the CIF card [CIF]
data_MgTi2Zn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.046
_cell_length_b   6.150
_cell_length_c   6.046
_cell_angle_alpha   62.852
_cell_angle_beta   59.628
_cell_angle_gamma   62.852
_symmetry_Int_Tables_number   1
_cell_volume   164.966
_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  0.500  0.000  1.0
  Ti  Ti1  1  0.500  0.000  0.500  1.0
  Ti  Ti2  1  0.500  0.500  0.500  1.0
  Zn  Zn3  1  0.163  0.034  0.163  1.0
  Zn  Zn4  1  0.500  0.500  0.000  1.0
  Zn  Zn5  1  0.000  0.500  0.500  1.0
  Zn  Zn6  1  0.837  0.966  0.837  1.0
  O  O7  1  0.261  0.241  0.261  1.0
  O  O8  1  0.281  0.679  0.281  1.0
  O  O9  1  0.256  0.252  0.755  1.0
  O  O10  1  0.755  0.252  0.256  1.0
  O  O11  1  0.245  0.748  0.744  1.0
  O  O12  1  0.744  0.748  0.245  1.0
  O  O13  1  0.719  0.321  0.719  1.0
  O  O14  1  0.739  0.759  0.739  1.0
[/CIF]
.
The material structure described by MgTi2Zn4O8 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form distorted MgO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with four equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form TiO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with four equivalent Zn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the second Ti site, Ti(2) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form TiO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with four equivalent Zn(2)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(3) atoms. In the second Zn site, Zn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Zn(2)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(1), one Zn(1), and two equivalent Zn(2) atoms to form distorted OMgTiZn3 square pyramids that share corners with two equivalent O(3)MgTi2Zn2 square pyramids, corners with four equivalent O(1)MgTiZn3 square pyramids, corners with three equivalent O(2)TiZn3 tetrahedra, edges with six equivalent O(3)MgTi2Zn2 square pyramids, and  an edgeedge with one O(2)TiZn3 tetrahedra. In the second O site, O(2) is bonded to one Ti(2), one Zn(1), and two equivalent Zn(2) atoms to form OTiZn3 tetrahedra that share corners with three equivalent O(1)MgTiZn3 square pyramids, corners with six equivalent O(3)MgTi2Zn2 square pyramids, corners with three equivalent O(2)TiZn3 tetrahedra,  an edgeedge with one O(1)MgTiZn3 square pyramid, and edges with two equivalent O(3)MgTi2Zn2 square pyramids. In the third O site, O(3) is bonded to one Mg(1), one Ti(1), one Ti(2), one Zn(1), and one Zn(2) atom to form OMgTi2Zn2 square pyramids that share  a cornercorner with one O(1)MgTiZn3 square pyramid, corners with five equivalent O(3)MgTi2Zn2 square pyramids, corners with three equivalent O(2)TiZn3 tetrahedra, edges with three equivalent O(3)MgTi2Zn2 square pyramids, edges with three equivalent O(1)MgTiZn3 square pyramids, and  an edgeedge with one O(2)TiZn3 tetrahedra. is represented by the CIF card [CIF]
data_MgTi2Zn4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.046
_cell_length_b   6.150
_cell_length_c   6.046
_cell_angle_alpha   62.852
_cell_angle_beta   59.628
_cell_angle_gamma   62.852
_symmetry_Int_Tables_number   1
_cell_volume   164.966
_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  0.500  0.000  1.0
  Ti  Ti1  1  0.500  0.000  0.500  1.0
  Ti  Ti2  1  0.500  0.500  0.500  1.0
  Zn  Zn3  1  0.163  0.034  0.163  1.0
  Zn  Zn4  1  0.500  0.500  0.000  1.0
  Zn  Zn5  1  0.000  0.500  0.500  1.0
  Zn  Zn6  1  0.837  0.966  0.837  1.0
  O  O7  1  0.261  0.241  0.261  1.0
  O  O8  1  0.281  0.679  0.281  1.0
  O  O9  1  0.256  0.252  0.755  1.0
  O  O10  1  0.755  0.252  0.256  1.0
  O  O11  1  0.245  0.748  0.744  1.0
  O  O12  1  0.744  0.748  0.245  1.0
  O  O13  1  0.719  0.321  0.719  1.0
  O  O14  1  0.739  0.759  0.739  1.0
[/CIF]
.