The crystal structure described by MgTi2Zn2O6 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with four equivalent Ti(1)O5 square pyramids and faces with two equivalent Ti(1)O5 square pyramids. Ti(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted TiO5 square pyramids that share corners with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(1)O5 square pyramids, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-38°. Zn(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(1), and two equivalent Zn(1) atoms to form a mixture of distorted edge and corner-sharing OMgTiZn2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Ti(1), and one Zn(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Ti(1), and one Zn(1) atom. is represented by the CIF file [CIF]
data_MgTi2Zn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.698
_cell_length_b   11.054
_cell_length_c   11.203
_cell_angle_alpha   152.806
_cell_angle_beta   165.439
_cell_angle_gamma   18.642
_symmetry_Int_Tables_number   1
_cell_volume   146.696
_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  0.000  1.0
  Ti  Ti1  1  0.829  0.912  0.635  1.0
  Ti  Ti2  1  0.170  0.088  0.365  1.0
  Zn  Zn3  1  0.111  0.552  0.972  1.0
  Zn  Zn4  1  0.889  0.448  0.029  1.0
  O  O5  1  0.744  0.130  0.554  1.0
  O  O6  1  0.447  0.362  0.625  1.0
  O  O7  1  0.871  0.591  0.518  1.0
  O  O8  1  0.256  0.870  0.446  1.0
  O  O9  1  0.553  0.638  0.374  1.0
  O  O10  1  0.129  0.409  0.482  1.0
[/CIF]
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The crystal structure described by MgTi2Zn2O6 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with four equivalent Ti(1)O5 square pyramids and faces with two equivalent Ti(1)O5 square pyramids. Ti(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted TiO5 square pyramids that share corners with two equivalent Mg(1)O6 octahedra, edges with two equivalent Ti(1)O5 square pyramids, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-38°. Zn(1) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(1), and two equivalent Zn(1) atoms to form a mixture of distorted edge and corner-sharing OMgTiZn2 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Ti(1), and one Zn(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Ti(1), and one Zn(1) atom. is represented by the CIF file [CIF]
data_MgTi2Zn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.698
_cell_length_b   11.054
_cell_length_c   11.203
_cell_angle_alpha   152.806
_cell_angle_beta   165.439
_cell_angle_gamma   18.642
_symmetry_Int_Tables_number   1
_cell_volume   146.696
_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  0.000  1.0
  Ti  Ti1  1  0.829  0.912  0.635  1.0
  Ti  Ti2  1  0.170  0.088  0.365  1.0
  Zn  Zn3  1  0.111  0.552  0.972  1.0
  Zn  Zn4  1  0.889  0.448  0.029  1.0
  O  O5  1  0.744  0.130  0.554  1.0
  O  O6  1  0.447  0.362  0.625  1.0
  O  O7  1  0.871  0.591  0.518  1.0
  O  O8  1  0.256  0.870  0.446  1.0
  O  O9  1  0.553  0.638  0.374  1.0
  O  O10  1  0.129  0.409  0.482  1.0
[/CIF]
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