The structure described by MgTi5NbO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form MgO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, and  a faceface with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. There are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(10), one O(12), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and  an edgeedge with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-58°. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(3), one O(5), one O(6), and one O(8) atom to form TiO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra, and  an edgeedge with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-57°. In the third Ti site, Ti(3) is bonded to one O(11), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-60°. In the fourth Ti site, Ti(4) is bonded to one O(11), one O(12), one O(2), one O(3), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. In the fifth Ti site, Ti(5) is bonded in a 6-coordinate geometry to one O(12), one O(3), one O(4), one O(6), one O(7), and one O(9) atom. Nb(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(4), and one O(6) atom to form NbO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Nb(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(3), one Ti(4), and one Nb(1) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Ti(2), one Ti(4), and one Ti(5) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Mg(1), one Ti(3), one Ti(5), and one Nb(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Ti(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Ti(2), one Ti(5), and one Nb(1) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Mg(1), one Ti(1), one Ti(3), and one Ti(5) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(2), one Ti(3), and one Ti(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(4), and one Ti(5) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Nb(1) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(3), one Ti(4), and one Nb(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), one Ti(4), and one Ti(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi5NbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.454
_cell_length_b   5.781
_cell_length_c   5.665
_cell_angle_alpha   74.875
_cell_angle_beta   70.532
_cell_angle_gamma   68.383
_symmetry_Int_Tables_number   1
_cell_volume   211.314
_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  0.172  0.815  0.332  1.0
  Ti  Ti1  1  0.816  0.672  0.676  1.0
  Ti  Ti2  1  0.653  0.339  0.344  1.0
  Ti  Ti3  1  0.357  0.643  0.708  1.0
  Ti  Ti4  1  0.149  0.322  0.310  1.0
  Ti  Ti5  1  0.997  0.032  0.928  1.0
  Nb  Nb6  1  0.528  0.990  0.992  1.0
  O  O7  1  0.667  0.031  0.606  1.0
  O  O8  1  0.329  0.370  0.971  1.0
  O  O9  1  0.983  0.187  0.235  1.0
  O  O10  1  0.289  0.888  0.939  1.0
  O  O11  1  0.645  0.543  0.575  1.0
  O  O12  1  0.707  0.113  0.082  1.0
  O  O13  1  0.049  0.782  0.726  1.0
  O  O14  1  0.371  0.468  0.426  1.0
  O  O15  1  0.013  0.303  0.685  1.0
  O  O16  1  0.686  0.611  0.040  1.0
  O  O17  1  0.347  0.975  0.378  1.0
  O  O18  1  0.992  0.666  0.298  1.0
[/CIF]
.
The structure described by MgTi5NbO12 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(11), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form MgO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Ti(4)O6 octahedra, and  a faceface with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. There are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(10), one O(12), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and  an edgeedge with one Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-58°. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(3), one O(5), one O(6), and one O(8) atom to form TiO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra, and  an edgeedge with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-57°. In the third Ti site, Ti(3) is bonded to one O(11), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(4)O6 octahedra, corners with three equivalent Nb(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-60°. In the fourth Ti site, Ti(4) is bonded to one O(11), one O(12), one O(2), one O(3), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. In the fifth Ti site, Ti(5) is bonded in a 6-coordinate geometry to one O(12), one O(3), one O(4), one O(6), one O(7), and one O(9) atom. Nb(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(4), and one O(6) atom to form NbO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and  an edgeedge with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-60°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Nb(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ti(3), one Ti(4), and one Nb(1) atom. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Ti(2), one Ti(4), and one Ti(5) atom. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Mg(1), one Ti(3), one Ti(5), and one Nb(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(2), and one Ti(3) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Ti(2), one Ti(5), and one Nb(1) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Mg(1), one Ti(1), one Ti(3), and one Ti(5) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(2), one Ti(3), and one Ti(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Ti(1), one Ti(4), and one Ti(5) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(2), and one Nb(1) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(3), one Ti(4), and one Nb(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(1), one Ti(4), and one Ti(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi5NbO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.454
_cell_length_b   5.781
_cell_length_c   5.665
_cell_angle_alpha   74.875
_cell_angle_beta   70.532
_cell_angle_gamma   68.383
_symmetry_Int_Tables_number   1
_cell_volume   211.314
_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  0.172  0.815  0.332  1.0
  Ti  Ti1  1  0.816  0.672  0.676  1.0
  Ti  Ti2  1  0.653  0.339  0.344  1.0
  Ti  Ti3  1  0.357  0.643  0.708  1.0
  Ti  Ti4  1  0.149  0.322  0.310  1.0
  Ti  Ti5  1  0.997  0.032  0.928  1.0
  Nb  Nb6  1  0.528  0.990  0.992  1.0
  O  O7  1  0.667  0.031  0.606  1.0
  O  O8  1  0.329  0.370  0.971  1.0
  O  O9  1  0.983  0.187  0.235  1.0
  O  O10  1  0.289  0.888  0.939  1.0
  O  O11  1  0.645  0.543  0.575  1.0
  O  O12  1  0.707  0.113  0.082  1.0
  O  O13  1  0.049  0.782  0.726  1.0
  O  O14  1  0.371  0.468  0.426  1.0
  O  O15  1  0.013  0.303  0.685  1.0
  O  O16  1  0.686  0.611  0.040  1.0
  O  O17  1  0.347  0.975  0.378  1.0
  O  O18  1  0.992  0.666  0.298  1.0
[/CIF]
.