The material described by MgTi4Zn2O10 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded to one O(2), two equivalent O(4), and four equivalent O(5) atoms to form distorted MgO7 hexagonal pyramids that share corners with two equivalent Ti(1)O5 trigonal bipyramids, corners with two equivalent Ti(2)O5 trigonal bipyramids, edges with two equivalent Mg(1)O7 hexagonal pyramids,  an edgeedge with one Zn(1)O6 octahedra, edges with four equivalent Ti(1)O5 trigonal bipyramids, and faces with two equivalent Zn(1)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted TiO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O7 hexagonal pyramid,  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra, corners with three equivalent Ti(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O7 hexagonal pyramids, edges with two equivalent Zn(1)O6 octahedra, and edges with two equivalent Ti(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 20-41°. In the second Ti site, Ti(2) is bonded to one O(1), one O(4), one O(6), and two equivalent O(3) atoms to form distorted TiO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O7 hexagonal pyramid,  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra, corners with three equivalent Ti(2)O5 trigonal bipyramids, edges with two equivalent Zn(2)O6 octahedra, and edges with two equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 35-49°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form ZnO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with two equivalent Ti(1)O5 trigonal bipyramids, corners with two equivalent Ti(2)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O7 hexagonal pyramid, edges with four equivalent Ti(1)O5 trigonal bipyramids, and faces with two equivalent Mg(1)O7 hexagonal pyramids. The corner-sharing octahedral tilt angles are 19°. In the second Zn site, Zn(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form distorted ZnO6 octahedra that share corners with two equivalent Zn(2)O6 octahedra, corners with two equivalent Ti(1)O5 trigonal bipyramids, corners with two equivalent Ti(2)O5 trigonal bipyramids, and edges with four equivalent Ti(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 52°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ti(2) and two equivalent Zn(2) atoms to form OTi2Zn2 tetrahedra that share corners with two equivalent O(1)Ti2Zn2 tetrahedra and corners with two equivalent O(4)MgTi3Zn trigonal bipyramids. In the second O site, O(2) is bonded to one Mg(1), two equivalent Ti(1), and two equivalent Zn(1) atoms to form OMgTi2Zn2 trigonal bipyramids that share corners with two equivalent O(2)MgTi2Zn2 trigonal bipyramids, corners with two equivalent O(4)MgTi3Zn trigonal bipyramids, and edges with four equivalent O(4)MgTi3Zn trigonal bipyramids. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Ti(1), two equivalent Ti(2), and one Zn(2) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Ti(2), two equivalent Ti(1), and one Zn(1) atom to form OMgTi3Zn trigonal bipyramids that share  a cornercorner with one O(1)Ti2Zn2 tetrahedra,  a cornercorner with one O(2)MgTi2Zn2 trigonal bipyramid, corners with two equivalent O(4)MgTi3Zn trigonal bipyramids,  an edgeedge with one O(4)MgTi3Zn trigonal bipyramid, and edges with two equivalent O(2)MgTi2Zn2 trigonal bipyramids. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1), one Ti(1), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ti(2) and one Zn(2) atom. is represented by the CIF card [CIF]
data_MgTi4Zn2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.941
_cell_length_b   5.452
_cell_length_c   11.021
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.192
_symmetry_Int_Tables_number   1
_cell_volume   220.771
_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  0.582  0.163  0.750  1.0
  Ti  Ti1  1  0.233  0.465  0.592  1.0
  Ti  Ti2  1  0.777  0.554  0.407  1.0
  Ti  Ti3  1  0.777  0.554  0.093  1.0
  Ti  Ti4  1  0.233  0.465  0.908  1.0
  Zn  Zn5  1  0.899  0.798  0.750  1.0
  Zn  Zn6  1  0.081  0.162  0.250  1.0
  O  O7  1  0.675  0.349  0.250  1.0
  O  O8  1  0.367  0.733  0.750  1.0
  O  O9  1  0.235  0.470  0.083  1.0
  O  O10  1  0.752  0.504  0.897  1.0
  O  O11  1  0.752  0.504  0.603  1.0
  O  O12  1  0.235  0.470  0.417  1.0
  O  O13  1  0.064  0.128  0.638  1.0
  O  O14  1  0.942  0.884  0.379  1.0
  O  O15  1  0.064  0.128  0.862  1.0
  O  O16  1  0.942  0.884  0.121  1.0
[/CIF]
.
The material described by MgTi4Zn2O10 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded to one O(2), two equivalent O(4), and four equivalent O(5) atoms to form distorted MgO7 hexagonal pyramids that share corners with two equivalent Ti(1)O5 trigonal bipyramids, corners with two equivalent Ti(2)O5 trigonal bipyramids, edges with two equivalent Mg(1)O7 hexagonal pyramids,  an edgeedge with one Zn(1)O6 octahedra, edges with four equivalent Ti(1)O5 trigonal bipyramids, and faces with two equivalent Zn(1)O6 octahedra. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(2), one O(3), one O(5), and two equivalent O(4) atoms to form distorted TiO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O7 hexagonal pyramid,  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra, corners with three equivalent Ti(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O7 hexagonal pyramids, edges with two equivalent Zn(1)O6 octahedra, and edges with two equivalent Ti(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 20-41°. In the second Ti site, Ti(2) is bonded to one O(1), one O(4), one O(6), and two equivalent O(3) atoms to form distorted TiO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O7 hexagonal pyramid,  a cornercorner with one Zn(1)O6 octahedra,  a cornercorner with one Zn(2)O6 octahedra, corners with three equivalent Ti(2)O5 trigonal bipyramids, edges with two equivalent Zn(2)O6 octahedra, and edges with two equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 35-49°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form ZnO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with two equivalent Ti(1)O5 trigonal bipyramids, corners with two equivalent Ti(2)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O7 hexagonal pyramid, edges with four equivalent Ti(1)O5 trigonal bipyramids, and faces with two equivalent Mg(1)O7 hexagonal pyramids. The corner-sharing octahedral tilt angles are 19°. In the second Zn site, Zn(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form distorted ZnO6 octahedra that share corners with two equivalent Zn(2)O6 octahedra, corners with two equivalent Ti(1)O5 trigonal bipyramids, corners with two equivalent Ti(2)O5 trigonal bipyramids, and edges with four equivalent Ti(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 52°. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ti(2) and two equivalent Zn(2) atoms to form OTi2Zn2 tetrahedra that share corners with two equivalent O(1)Ti2Zn2 tetrahedra and corners with two equivalent O(4)MgTi3Zn trigonal bipyramids. In the second O site, O(2) is bonded to one Mg(1), two equivalent Ti(1), and two equivalent Zn(1) atoms to form OMgTi2Zn2 trigonal bipyramids that share corners with two equivalent O(2)MgTi2Zn2 trigonal bipyramids, corners with two equivalent O(4)MgTi3Zn trigonal bipyramids, and edges with four equivalent O(4)MgTi3Zn trigonal bipyramids. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Ti(1), two equivalent Ti(2), and one Zn(2) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Ti(2), two equivalent Ti(1), and one Zn(1) atom to form OMgTi3Zn trigonal bipyramids that share  a cornercorner with one O(1)Ti2Zn2 tetrahedra,  a cornercorner with one O(2)MgTi2Zn2 trigonal bipyramid, corners with two equivalent O(4)MgTi3Zn trigonal bipyramids,  an edgeedge with one O(4)MgTi3Zn trigonal bipyramid, and edges with two equivalent O(2)MgTi2Zn2 trigonal bipyramids. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1), one Ti(1), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Ti(2) and one Zn(2) atom. is represented by the CIF card [CIF]
data_MgTi4Zn2O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.941
_cell_length_b   5.452
_cell_length_c   11.021
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   111.192
_symmetry_Int_Tables_number   1
_cell_volume   220.771
_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  0.582  0.163  0.750  1.0
  Ti  Ti1  1  0.233  0.465  0.592  1.0
  Ti  Ti2  1  0.777  0.554  0.407  1.0
  Ti  Ti3  1  0.777  0.554  0.093  1.0
  Ti  Ti4  1  0.233  0.465  0.908  1.0
  Zn  Zn5  1  0.899  0.798  0.750  1.0
  Zn  Zn6  1  0.081  0.162  0.250  1.0
  O  O7  1  0.675  0.349  0.250  1.0
  O  O8  1  0.367  0.733  0.750  1.0
  O  O9  1  0.235  0.470  0.083  1.0
  O  O10  1  0.752  0.504  0.897  1.0
  O  O11  1  0.752  0.504  0.603  1.0
  O  O12  1  0.235  0.470  0.417  1.0
  O  O13  1  0.064  0.128  0.638  1.0
  O  O14  1  0.942  0.884  0.379  1.0
  O  O15  1  0.064  0.128  0.862  1.0
  O  O16  1  0.942  0.884  0.121  1.0
[/CIF]
.