The material described by MgTi2Zn2O6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form distorted MgO5 trigonal bipyramids that share corners with four equivalent Ti(2)O5 trigonal bipyramids, edges with two equivalent Ti(1)O5 trigonal bipyramids, and edges with two equivalent Zn(1)O5 trigonal bipyramids. 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(5), and one O(6) atom to form TiO5 trigonal bipyramids that share corners with four equivalent Zn(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent Ti(2)O5 trigonal bipyramids. In the second Ti site, Ti(2) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO5 trigonal bipyramids that share corners with four equivalent Mg(1)O5 trigonal bipyramids, edges with two equivalent Ti(1)O5 trigonal bipyramids, and edges with two equivalent Zn(1)O5 trigonal bipyramids. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form ZnO5 trigonal bipyramids that share corners with four equivalent Ti(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent Ti(2)O5 trigonal bipyramids. In the second Zn site, Zn(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Zn(1), and one Zn(2) atom. In the second O site, O(2) is bonded to one Mg(1), one Ti(1), one Ti(2), and one Zn(2) atom to form corner-sharing OMgTi2Zn trigonal pyramids. In the third O site, O(3) is bonded in a see-saw-like geometry to one Ti(1), one Ti(2), one Zn(1), and one Zn(2) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Ti(2), one Zn(1), and one Zn(2) atom to form corner-sharing OMgTiZn2 trigonal pyramids. In the fifth O site, O(5) is bonded in a see-saw-like geometry to one Mg(1), one Ti(1), one Ti(2), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Mg(1), one Ti(1), one Ti(2), and one Zn(1) atom. is represented by the CIF card [CIF]
data_MgTi2Zn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.315
_cell_length_b   10.908
_cell_length_c   10.762
_cell_angle_alpha   151.850
_cell_angle_beta   161.764
_cell_angle_gamma   15.803
_symmetry_Int_Tables_number   1
_cell_volume   141.874
_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  0.115  0.830  0.389  1.0
  Ti  Ti1  1  0.923  0.800  0.651  1.0
  Ti  Ti2  1  0.031  0.207  0.312  1.0
  Zn  Zn3  1  0.882  0.547  0.672  1.0
  Zn  Zn4  1  0.996  0.579  0.268  1.0
  O  O5  1  0.585  0.111  0.319  1.0
  O  O6  1  0.458  0.472  0.697  1.0
  O  O7  1  0.585  0.861  0.381  1.0
  O  O8  1  0.325  0.918  0.616  1.0
  O  O9  1  0.500  0.566  0.275  1.0
  O  O10  1  0.487  0.102  0.746  1.0
[/CIF]
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The material described by MgTi2Zn2O6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(4), one O(5), and one O(6) atom to form distorted MgO5 trigonal bipyramids that share corners with four equivalent Ti(2)O5 trigonal bipyramids, edges with two equivalent Ti(1)O5 trigonal bipyramids, and edges with two equivalent Zn(1)O5 trigonal bipyramids. 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(5), and one O(6) atom to form TiO5 trigonal bipyramids that share corners with four equivalent Zn(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent Ti(2)O5 trigonal bipyramids. In the second Ti site, Ti(2) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO5 trigonal bipyramids that share corners with four equivalent Mg(1)O5 trigonal bipyramids, edges with two equivalent Ti(1)O5 trigonal bipyramids, and edges with two equivalent Zn(1)O5 trigonal bipyramids. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form ZnO5 trigonal bipyramids that share corners with four equivalent Ti(1)O5 trigonal bipyramids, edges with two equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent Ti(2)O5 trigonal bipyramids. In the second Zn site, Zn(2) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Zn(1), and one Zn(2) atom. In the second O site, O(2) is bonded to one Mg(1), one Ti(1), one Ti(2), and one Zn(2) atom to form corner-sharing OMgTi2Zn trigonal pyramids. In the third O site, O(3) is bonded in a see-saw-like geometry to one Ti(1), one Ti(2), one Zn(1), and one Zn(2) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Ti(2), one Zn(1), and one Zn(2) atom to form corner-sharing OMgTiZn2 trigonal pyramids. In the fifth O site, O(5) is bonded in a see-saw-like geometry to one Mg(1), one Ti(1), one Ti(2), and one Zn(1) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Mg(1), one Ti(1), one Ti(2), and one Zn(1) atom. is represented by the CIF card [CIF]
data_MgTi2Zn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.315
_cell_length_b   10.908
_cell_length_c   10.762
_cell_angle_alpha   151.850
_cell_angle_beta   161.764
_cell_angle_gamma   15.803
_symmetry_Int_Tables_number   1
_cell_volume   141.874
_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  0.115  0.830  0.389  1.0
  Ti  Ti1  1  0.923  0.800  0.651  1.0
  Ti  Ti2  1  0.031  0.207  0.312  1.0
  Zn  Zn3  1  0.882  0.547  0.672  1.0
  Zn  Zn4  1  0.996  0.579  0.268  1.0
  O  O5  1  0.585  0.111  0.319  1.0
  O  O6  1  0.458  0.472  0.697  1.0
  O  O7  1  0.585  0.861  0.381  1.0
  O  O8  1  0.325  0.918  0.616  1.0
  O  O9  1  0.500  0.566  0.275  1.0
  O  O10  1  0.487  0.102  0.746  1.0
[/CIF]
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