The compound described by MgTiV4CoO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(11), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form distorted MgO6 pentagonal pyramids that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  a faceface with one V(2)O5 trigonal bipyramid, and  a faceface with one V(4)O5 trigonal bipyramid. Ti(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent V(2)O5 trigonal bipyramids, corners with two equivalent V(4)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O6 pentagonal pyramid, and edges with two equivalent Co(1)O6 pentagonal pyramids. There are four 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(6) 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 Co(1)O6 pentagonal pyramids,  a cornercorner with one V(4)O5 trigonal bipyramid, and corners with two equivalent V(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 56°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form VO5 trigonal bipyramids that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra,  an edgeedge with one Co(1)O6 pentagonal pyramid, and  a faceface with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 26-38°. In the third V site, V(3) is bonded to one O(10), one O(5), one O(7), and one O(9) 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 Co(1)O6 pentagonal pyramids,  a cornercorner with one V(2)O5 trigonal bipyramid, and corners with two equivalent V(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 56°. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(2), one O(7), and one O(9) atom to form VO5 trigonal bipyramids that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one V(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra,  an edgeedge with one Co(1)O6 pentagonal pyramid, and  a faceface with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 26-39°. Co(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(5) atom to form distorted CoO6 pentagonal pyramids that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra,  an edgeedge with one V(2)O5 trigonal bipyramid, and  an edgeedge with one V(4)O5 trigonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ti(1), one V(1), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(1), one V(4), and one Co(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1), one V(2), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one Co(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one V(3), and one V(4) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(1), and one V(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(3), and one V(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ti(1), one V(3), and one Co(1) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(1), and one V(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ti(1), one V(4), and one Co(1) atom. is represented by the CIF file [CIF]
data_MgTiV4CoO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.172
_cell_length_b   7.166
_cell_length_c   5.566
_cell_angle_alpha   79.359
_cell_angle_beta   100.633
_cell_angle_gamma   98.425
_symmetry_Int_Tables_number   1
_cell_volume   274.404
_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  0.568  0.568  0.249  1.0
  Ti  Ti1  1  0.899  0.900  0.250  1.0
  V  V2  1  0.213  0.627  0.659  1.0
  V  V3  1  0.368  0.870  0.113  1.0
  V  V4  1  0.627  0.213  0.841  1.0
  V  V5  1  0.870  0.368  0.388  1.0
  Co  Co6  1  0.096  0.095  0.750  1.0
  O  O7  1  0.068  0.808  0.603  1.0
  O  O8  1  0.082  0.398  0.690  1.0
  O  O9  1  0.127  0.956  0.096  1.0
  O  O10  1  0.340  0.646  0.417  1.0
  O  O11  1  0.398  0.082  0.811  1.0
  O  O12  1  0.369  0.652  0.944  1.0
  O  O13  1  0.647  0.340  0.083  1.0
  O  O14  1  0.631  0.869  0.259  1.0
  O  O15  1  0.651  0.368  0.556  1.0
  O  O16  1  0.807  0.067  0.896  1.0
  O  O17  1  0.868  0.632  0.242  1.0
  O  O18  1  0.958  0.128  0.403  1.0
[/CIF]
.
The compound described by MgTiV4CoO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(11), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form distorted MgO6 pentagonal pyramids that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra,  a faceface with one V(2)O5 trigonal bipyramid, and  a faceface with one V(4)O5 trigonal bipyramid. Ti(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent V(2)O5 trigonal bipyramids, corners with two equivalent V(4)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O6 pentagonal pyramid, and edges with two equivalent Co(1)O6 pentagonal pyramids. There are four 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(6) 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 Co(1)O6 pentagonal pyramids,  a cornercorner with one V(4)O5 trigonal bipyramid, and corners with two equivalent V(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 56°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form VO5 trigonal bipyramids that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one V(3)O4 tetrahedra, corners with two equivalent V(1)O4 tetrahedra,  an edgeedge with one Co(1)O6 pentagonal pyramid, and  a faceface with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 26-38°. In the third V site, V(3) is bonded to one O(10), one O(5), one O(7), and one O(9) 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 Co(1)O6 pentagonal pyramids,  a cornercorner with one V(2)O5 trigonal bipyramid, and corners with two equivalent V(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 56°. In the fourth V site, V(4) is bonded to one O(11), one O(12), one O(2), one O(7), and one O(9) atom to form VO5 trigonal bipyramids that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one V(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra,  an edgeedge with one Co(1)O6 pentagonal pyramid, and  a faceface with one Mg(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 26-39°. Co(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(5) atom to form distorted CoO6 pentagonal pyramids that share corners with two equivalent V(1)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra,  an edgeedge with one V(2)O5 trigonal bipyramid, and  an edgeedge with one V(4)O5 trigonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ti(1), one V(1), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(1), one V(4), and one Co(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Ti(1), one V(2), and one Co(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one V(2), one V(3), and one Co(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(1), and one V(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one V(3), and one V(4) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(1), and one V(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mg(1), one V(3), and one V(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ti(1), one V(3), and one Co(1) atom. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(1), and one V(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Ti(1), one V(4), and one Co(1) atom. is represented by the CIF file [CIF]
data_MgTiV4CoO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.172
_cell_length_b   7.166
_cell_length_c   5.566
_cell_angle_alpha   79.359
_cell_angle_beta   100.633
_cell_angle_gamma   98.425
_symmetry_Int_Tables_number   1
_cell_volume   274.404
_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  0.568  0.568  0.249  1.0
  Ti  Ti1  1  0.899  0.900  0.250  1.0
  V  V2  1  0.213  0.627  0.659  1.0
  V  V3  1  0.368  0.870  0.113  1.0
  V  V4  1  0.627  0.213  0.841  1.0
  V  V5  1  0.870  0.368  0.388  1.0
  Co  Co6  1  0.096  0.095  0.750  1.0
  O  O7  1  0.068  0.808  0.603  1.0
  O  O8  1  0.082  0.398  0.690  1.0
  O  O9  1  0.127  0.956  0.096  1.0
  O  O10  1  0.340  0.646  0.417  1.0
  O  O11  1  0.398  0.082  0.811  1.0
  O  O12  1  0.369  0.652  0.944  1.0
  O  O13  1  0.647  0.340  0.083  1.0
  O  O14  1  0.631  0.869  0.259  1.0
  O  O15  1  0.651  0.368  0.556  1.0
  O  O16  1  0.807  0.067  0.896  1.0
  O  O17  1  0.868  0.632  0.242  1.0
  O  O18  1  0.958  0.128  0.403  1.0
[/CIF]
.