The material structure described by MgTi2Mn2O6 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-28°. Ti(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form TiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and edges with five equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. Mn(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form distorted MnO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with five equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-28°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Ti(1), and one Mn(1) atom to form distorted OMgTi2Mn trigonal pyramids that share corners with three equivalent O(2)Ti3Mn3 octahedra, corners with four equivalent O(3)Mg2TiMn2 square pyramids, corners with three equivalent O(1)MgTi2Mn trigonal pyramids, edges with three equivalent O(2)Ti3Mn3 octahedra, and edges with two equivalent O(3)Mg2TiMn2 square pyramids. The corner-sharing octahedral tilt angles range from 5-23°. In the second O site, O(2) is bonded to three equivalent Ti(1) and three equivalent Mn(1) atoms to form OTi3Mn3 octahedra that share corners with three equivalent O(3)Mg2TiMn2 square pyramids, corners with three equivalent O(1)MgTi2Mn trigonal pyramids, edges with six equivalent O(2)Ti3Mn3 octahedra, edges with three equivalent O(3)Mg2TiMn2 square pyramids, and edges with three equivalent O(1)MgTi2Mn trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Mg(1), one Ti(1), and two equivalent Mn(1) atoms to form OMg2TiMn2 square pyramids that share corners with three equivalent O(2)Ti3Mn3 octahedra, corners with two equivalent O(3)Mg2TiMn2 square pyramids, corners with four equivalent O(1)MgTi2Mn trigonal pyramids, edges with three equivalent O(2)Ti3Mn3 octahedra, edges with three equivalent O(3)Mg2TiMn2 square pyramids, and edges with two equivalent O(1)MgTi2Mn trigonal pyramids. The corner-sharing octahedral tilt angles range from 9-18°. is represented by the CIF file [CIF]
data_MgTi2Mn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.666
_cell_length_b   3.050
_cell_length_c   6.332
_cell_angle_alpha   118.492
_cell_angle_beta   140.560
_cell_angle_gamma   67.655
_symmetry_Int_Tables_number   1
_cell_volume   125.788
_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  0.000  0.500  1.0
  Ti  Ti1  1  0.348  0.354  0.861  1.0
  Ti  Ti2  1  0.652  0.646  0.139  1.0
  Mn  Mn3  1  0.712  0.645  0.718  1.0
  Mn  Mn4  1  0.288  0.355  0.282  1.0
  O  O5  1  0.201  0.723  0.521  1.0
  O  O6  1  0.501  0.015  0.252  1.0
  O  O7  1  0.831  0.356  0.106  1.0
  O  O8  1  0.799  0.277  0.479  1.0
  O  O9  1  0.499  0.985  0.748  1.0
  O  O10  1  0.169  0.644  0.894  1.0
[/CIF]
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The material structure described by MgTi2Mn2O6 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-28°. Ti(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form TiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, edges with two equivalent Mg(1)O6 octahedra, edges with four equivalent Ti(1)O6 octahedra, and edges with five equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-10°. Mn(1) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form distorted MnO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with five equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-28°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), two equivalent Ti(1), and one Mn(1) atom to form distorted OMgTi2Mn trigonal pyramids that share corners with three equivalent O(2)Ti3Mn3 octahedra, corners with four equivalent O(3)Mg2TiMn2 square pyramids, corners with three equivalent O(1)MgTi2Mn trigonal pyramids, edges with three equivalent O(2)Ti3Mn3 octahedra, and edges with two equivalent O(3)Mg2TiMn2 square pyramids. The corner-sharing octahedral tilt angles range from 5-23°. In the second O site, O(2) is bonded to three equivalent Ti(1) and three equivalent Mn(1) atoms to form OTi3Mn3 octahedra that share corners with three equivalent O(3)Mg2TiMn2 square pyramids, corners with three equivalent O(1)MgTi2Mn trigonal pyramids, edges with six equivalent O(2)Ti3Mn3 octahedra, edges with three equivalent O(3)Mg2TiMn2 square pyramids, and edges with three equivalent O(1)MgTi2Mn trigonal pyramids. In the third O site, O(3) is bonded to two equivalent Mg(1), one Ti(1), and two equivalent Mn(1) atoms to form OMg2TiMn2 square pyramids that share corners with three equivalent O(2)Ti3Mn3 octahedra, corners with two equivalent O(3)Mg2TiMn2 square pyramids, corners with four equivalent O(1)MgTi2Mn trigonal pyramids, edges with three equivalent O(2)Ti3Mn3 octahedra, edges with three equivalent O(3)Mg2TiMn2 square pyramids, and edges with two equivalent O(1)MgTi2Mn trigonal pyramids. The corner-sharing octahedral tilt angles range from 9-18°. is represented by the CIF file [CIF]
data_MgTi2Mn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.666
_cell_length_b   3.050
_cell_length_c   6.332
_cell_angle_alpha   118.492
_cell_angle_beta   140.560
_cell_angle_gamma   67.655
_symmetry_Int_Tables_number   1
_cell_volume   125.788
_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  0.000  0.500  1.0
  Ti  Ti1  1  0.348  0.354  0.861  1.0
  Ti  Ti2  1  0.652  0.646  0.139  1.0
  Mn  Mn3  1  0.712  0.645  0.718  1.0
  Mn  Mn4  1  0.288  0.355  0.282  1.0
  O  O5  1  0.201  0.723  0.521  1.0
  O  O6  1  0.501  0.015  0.252  1.0
  O  O7  1  0.831  0.356  0.106  1.0
  O  O8  1  0.799  0.277  0.479  1.0
  O  O9  1  0.499  0.985  0.748  1.0
  O  O10  1  0.169  0.644  0.894  1.0
[/CIF]
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