The material described by MgTiV4MnO12 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form distorted MgO6 pentagonal pyramids that share corners with four equivalent V(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Mn(1)O6 pentagonal pyramid, and edges with two equivalent V(2)O5 trigonal bipyramids. Ti(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with four equivalent V(2)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 pentagonal pyramids, and edges with two equivalent Mn(1)O6 pentagonal pyramids. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form VO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Mg(1)O6 pentagonal pyramids, corners with two equivalent Mn(1)O6 pentagonal pyramids, and corners with three equivalent V(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 59°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO5 trigonal bipyramids that share corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent V(1)O4 tetrahedra,  an edgeedge with one Mg(1)O6 pentagonal pyramid, and  an edgeedge with one Mn(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 36-39°. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO6 pentagonal pyramids that share corners with four equivalent V(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Mg(1)O6 pentagonal pyramid, and edges with two equivalent V(2)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), one V(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one V(2), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Ti(1), and one V(2) atom. is represented by the CIF file [CIF]
data_MgTiMnV4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.159
_cell_length_b   7.159
_cell_length_c   5.473
_cell_angle_alpha   72.075
_cell_angle_beta   107.926
_cell_angle_gamma   104.002
_symmetry_Int_Tables_number   1
_cell_volume   250.560
_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  0.718  0.718  0.750  1.0
  Ti  Ti1  1  0.920  0.920  0.250  1.0
  Mn  Mn2  1  0.108  0.108  0.750  1.0
  V  V3  1  0.193  0.621  0.756  1.0
  V  V4  1  0.390  0.837  0.221  1.0
  V  V5  1  0.621  0.193  0.744  1.0
  V  V6  1  0.837  0.389  0.279  1.0
  O  O7  1  0.026  0.796  0.647  1.0
  O  O8  1  0.053  0.406  0.660  1.0
  O  O9  1  0.172  0.968  0.169  1.0
  O  O10  1  0.400  0.701  0.621  1.0
  O  O11  1  0.406  0.053  0.840  1.0
  O  O12  1  0.278  0.594  0.095  1.0
  O  O13  1  0.701  0.400  0.879  1.0
  O  O14  1  0.668  0.854  0.352  1.0
  O  O15  1  0.594  0.278  0.405  1.0
  O  O16  1  0.796  0.026  0.853  1.0
  O  O17  1  0.854  0.668  0.148  1.0
  O  O18  1  0.968  0.172  0.331  1.0
[/CIF]
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The material described by MgTiV4MnO12 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form distorted MgO6 pentagonal pyramids that share corners with four equivalent V(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Mn(1)O6 pentagonal pyramid, and edges with two equivalent V(2)O5 trigonal bipyramids. Ti(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form TiO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with four equivalent V(2)O5 trigonal bipyramids, edges with two equivalent Mg(1)O6 pentagonal pyramids, and edges with two equivalent Mn(1)O6 pentagonal pyramids. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form VO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Mg(1)O6 pentagonal pyramids, corners with two equivalent Mn(1)O6 pentagonal pyramids, and corners with three equivalent V(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 59°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO5 trigonal bipyramids that share corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent V(1)O4 tetrahedra,  an edgeedge with one Mg(1)O6 pentagonal pyramid, and  an edgeedge with one Mn(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 36-39°. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MnO6 pentagonal pyramids that share corners with four equivalent V(1)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Mg(1)O6 pentagonal pyramid, and edges with two equivalent V(2)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), one V(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one Mn(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ti(1), one V(2), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one V(1) and one V(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Ti(1), and one V(2) atom. is represented by the CIF file [CIF]
data_MgTiMnV4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.159
_cell_length_b   7.159
_cell_length_c   5.473
_cell_angle_alpha   72.075
_cell_angle_beta   107.926
_cell_angle_gamma   104.002
_symmetry_Int_Tables_number   1
_cell_volume   250.560
_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  0.718  0.718  0.750  1.0
  Ti  Ti1  1  0.920  0.920  0.250  1.0
  Mn  Mn2  1  0.108  0.108  0.750  1.0
  V  V3  1  0.193  0.621  0.756  1.0
  V  V4  1  0.390  0.837  0.221  1.0
  V  V5  1  0.621  0.193  0.744  1.0
  V  V6  1  0.837  0.389  0.279  1.0
  O  O7  1  0.026  0.796  0.647  1.0
  O  O8  1  0.053  0.406  0.660  1.0
  O  O9  1  0.172  0.968  0.169  1.0
  O  O10  1  0.400  0.701  0.621  1.0
  O  O11  1  0.406  0.053  0.840  1.0
  O  O12  1  0.278  0.594  0.095  1.0
  O  O13  1  0.701  0.400  0.879  1.0
  O  O14  1  0.668  0.854  0.352  1.0
  O  O15  1  0.594  0.278  0.405  1.0
  O  O16  1  0.796  0.026  0.853  1.0
  O  O17  1  0.854  0.668  0.148  1.0
  O  O18  1  0.968  0.172  0.331  1.0
[/CIF]
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