The crystal structure described by MgTi2Mn2O6 crystallizes in the trigonal R3 space group. Mg(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MgO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  a faceface with one Ti(1)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two 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 edge and corner-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 edge and corner-sharing OMgTi2Mn2 trigonal bipyramids. is represented by the CIF card [CIF]
data_MgTi2Mn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.916
_cell_length_b   5.921
_cell_length_c   5.923
_cell_angle_alpha   52.749
_cell_angle_beta   52.778
_cell_angle_gamma   52.796
_symmetry_Int_Tables_number   1
_cell_volume   121.845
_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  1.000  1.000  1.000  1.0
  Ti  Ti1  1  0.824  0.825  0.824  1.0
  Ti  Ti2  1  0.176  0.175  0.177  1.0
  Mn  Mn3  1  0.634  0.634  0.634  1.0
  Mn  Mn4  1  0.367  0.367  0.367  1.0
  O  O5  1  0.048  0.792  0.412  1.0
  O  O6  1  0.792  0.412  0.048  1.0
  O  O7  1  0.412  0.049  0.792  1.0
  O  O8  1  0.951  0.208  0.588  1.0
  O  O9  1  0.588  0.950  0.209  1.0
  O  O10  1  0.208  0.588  0.951  1.0
[/CIF]
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The crystal structure described by MgTi2Mn2O6 crystallizes in the trigonal R3 space group. Mg(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MgO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  a faceface with one Ti(1)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. In the second Ti site, Ti(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form TiO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, edges with three equivalent Ti(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two 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 edge and corner-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 edge and corner-sharing OMgTi2Mn2 trigonal bipyramids. is represented by the CIF card [CIF]
data_MgTi2Mn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.916
_cell_length_b   5.921
_cell_length_c   5.923
_cell_angle_alpha   52.749
_cell_angle_beta   52.778
_cell_angle_gamma   52.796
_symmetry_Int_Tables_number   1
_cell_volume   121.845
_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  1.000  1.000  1.000  1.0
  Ti  Ti1  1  0.824  0.825  0.824  1.0
  Ti  Ti2  1  0.176  0.175  0.177  1.0
  Mn  Mn3  1  0.634  0.634  0.634  1.0
  Mn  Mn4  1  0.367  0.367  0.367  1.0
  O  O5  1  0.048  0.792  0.412  1.0
  O  O6  1  0.792  0.412  0.048  1.0
  O  O7  1  0.412  0.049  0.792  1.0
  O  O8  1  0.951  0.208  0.588  1.0
  O  O9  1  0.588  0.950  0.209  1.0
  O  O10  1  0.208  0.588  0.951  1.0
[/CIF]
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