The compound described by MgTi2Mn2O6 crystallizes in the triclinic P1 space group. Mg(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 MgO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra,  a faceface with one Ti(2)O6 octahedra, and  a faceface with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-48°. 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 Mn(2)O6 octahedra, corners with six equivalent Ti(2)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-54°. In the second Ti site, Ti(2) 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 Mg(1)O6 octahedra, corners with six equivalent Ti(1)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-49°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Mn site, Mn(2) 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 distorted MnO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-54°. 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), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMgTi2Mn2 trigonal bipyramids. In the second O site, O(2) is bonded to one Mg(1), one Ti(1), one Ti(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMgTi2Mn2 trigonal bipyramids. In the third O site, O(3) is bonded to one Mg(1), one Ti(1), one Ti(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMgTi2Mn2 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Ti(1), one Ti(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMgTi2Mn2 trigonal bipyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Ti(1), one Ti(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMgTi2Mn2 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Mg(1), one Ti(1), one Ti(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMgTi2Mn2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2Mn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.923
_cell_length_b   5.922
_cell_length_c   5.927
_cell_angle_alpha   52.575
_cell_angle_beta   52.568
_cell_angle_gamma   52.572
_symmetry_Int_Tables_number   1
_cell_volume   121.356
_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  0.148  0.149  0.147  1.0
  Ti  Ti1  1  0.496  0.497  0.495  1.0
  Ti  Ti2  1  0.971  0.972  0.971  1.0
  Mn  Mn3  1  0.775  0.776  0.775  1.0
  Mn  Mn4  1  0.315  0.317  0.317  1.0
  O  O5  1  0.572  0.213  0.887  1.0
  O  O6  1  0.212  0.889  0.571  1.0
  O  O7  1  0.888  0.573  0.212  1.0
  O  O8  1  0.348  0.742  0.111  1.0
  O  O9  1  0.111  0.349  0.741  1.0
  O  O10  1  0.741  0.113  0.347  1.0
[/CIF]
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The compound described by MgTi2Mn2O6 crystallizes in the triclinic P1 space group. Mg(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 MgO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra,  a faceface with one Ti(2)O6 octahedra, and  a faceface with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-48°. 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 Mn(2)O6 octahedra, corners with six equivalent Ti(2)O6 octahedra, edges with three equivalent Mg(1)O6 octahedra, and  a faceface with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-54°. In the second Ti site, Ti(2) 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 Mg(1)O6 octahedra, corners with six equivalent Ti(1)O6 octahedra, edges with three equivalent Mn(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-49°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Mn site, Mn(2) 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 distorted MnO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra,  a faceface with one Mg(1)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-54°. 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), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMgTi2Mn2 trigonal bipyramids. In the second O site, O(2) is bonded to one Mg(1), one Ti(1), one Ti(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMgTi2Mn2 trigonal bipyramids. In the third O site, O(3) is bonded to one Mg(1), one Ti(1), one Ti(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMgTi2Mn2 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Ti(1), one Ti(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMgTi2Mn2 trigonal bipyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Ti(1), one Ti(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMgTi2Mn2 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Mg(1), one Ti(1), one Ti(2), one Mn(1), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OMgTi2Mn2 trigonal bipyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2Mn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.923
_cell_length_b   5.922
_cell_length_c   5.927
_cell_angle_alpha   52.575
_cell_angle_beta   52.568
_cell_angle_gamma   52.572
_symmetry_Int_Tables_number   1
_cell_volume   121.356
_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  0.148  0.149  0.147  1.0
  Ti  Ti1  1  0.496  0.497  0.495  1.0
  Ti  Ti2  1  0.971  0.972  0.971  1.0
  Mn  Mn3  1  0.775  0.776  0.775  1.0
  Mn  Mn4  1  0.315  0.317  0.317  1.0
  O  O5  1  0.572  0.213  0.887  1.0
  O  O6  1  0.212  0.889  0.571  1.0
  O  O7  1  0.888  0.573  0.212  1.0
  O  O8  1  0.348  0.742  0.111  1.0
  O  O9  1  0.111  0.349  0.741  1.0
  O  O10  1  0.741  0.113  0.347  1.0
[/CIF]
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