The material structure described by MgTi3Zn2O8 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(6) atoms to form MgO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(4), one O(5), and two equivalent O(6) atoms to form ZnO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, and corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. In the second Zn site, Zn(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, and corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(1), one Ti(2), and one Zn(2) atom to form a mixture of distorted corner and edge-sharing OMgTi2Zn trigonal pyramids. In the second O site, O(2) is bonded to one Mg(1), two equivalent Ti(1), and one Zn(2) atom to form a mixture of distorted corner and edge-sharing OMgTi2Zn trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ti(2), two equivalent Ti(1), and one Zn(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Ti(2), two equivalent Ti(1), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Ti(1), and one Zn(1) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Ti(1), one Ti(2), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OMgTi2Zn trigonal pyramids. is represented by the CIF file [CIF]
data_MgTi3Zn2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.087
_cell_length_b   5.977
_cell_length_c   5.973
_cell_angle_alpha   59.977
_cell_angle_beta   60.740
_cell_angle_gamma   60.595
_symmetry_Int_Tables_number   1
_cell_volume   155.144
_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  0.120  0.617  0.647  1.0
  Ti  Ti1  1  0.620  0.116  0.649  1.0
  Ti  Ti2  1  0.621  0.616  0.148  1.0
  Ti  Ti3  1  0.620  0.616  0.649  1.0
  Zn  Zn4  1  0.990  0.992  0.025  1.0
  Zn  Zn5  1  0.249  0.240  0.271  1.0
  O  O6  1  0.390  0.373  0.403  1.0
  O  O7  1  0.390  0.372  0.865  1.0
  O  O8  1  0.390  0.833  0.403  1.0
  O  O9  1  0.848  0.373  0.407  1.0
  O  O10  1  0.392  0.859  0.890  1.0
  O  O11  1  0.848  0.860  0.431  1.0
  O  O12  1  0.850  0.399  0.892  1.0
  O  O13  1  0.850  0.860  0.892  1.0
[/CIF]
.
The material structure described by MgTi3Zn2O8 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(6) atoms to form MgO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(4), one O(5), and two equivalent O(6) atoms to form ZnO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, and corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. In the second Zn site, Zn(2) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra, and corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-61°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(1), one Ti(2), and one Zn(2) atom to form a mixture of distorted corner and edge-sharing OMgTi2Zn trigonal pyramids. In the second O site, O(2) is bonded to one Mg(1), two equivalent Ti(1), and one Zn(2) atom to form a mixture of distorted corner and edge-sharing OMgTi2Zn trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ti(2), two equivalent Ti(1), and one Zn(2) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Ti(2), two equivalent Ti(1), and one Zn(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), two equivalent Ti(1), and one Zn(1) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Ti(1), one Ti(2), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OMgTi2Zn trigonal pyramids. is represented by the CIF file [CIF]
data_MgTi3Zn2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.087
_cell_length_b   5.977
_cell_length_c   5.973
_cell_angle_alpha   59.977
_cell_angle_beta   60.740
_cell_angle_gamma   60.595
_symmetry_Int_Tables_number   1
_cell_volume   155.144
_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  0.120  0.617  0.647  1.0
  Ti  Ti1  1  0.620  0.116  0.649  1.0
  Ti  Ti2  1  0.621  0.616  0.148  1.0
  Ti  Ti3  1  0.620  0.616  0.649  1.0
  Zn  Zn4  1  0.990  0.992  0.025  1.0
  Zn  Zn5  1  0.249  0.240  0.271  1.0
  O  O6  1  0.390  0.373  0.403  1.0
  O  O7  1  0.390  0.372  0.865  1.0
  O  O8  1  0.390  0.833  0.403  1.0
  O  O9  1  0.848  0.373  0.407  1.0
  O  O10  1  0.392  0.859  0.890  1.0
  O  O11  1  0.848  0.860  0.431  1.0
  O  O12  1  0.850  0.399  0.892  1.0
  O  O13  1  0.850  0.860  0.892  1.0
[/CIF]
.