The material structure described by MgTi6(N2O3)2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 7-coordinate geometry to one N(1), two equivalent N(2), one O(1), one O(4), and two equivalent O(3) atoms. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one N(1), one N(2), one O(1), one O(3), and two equivalent O(4) atoms to form distorted TiN2O4 octahedra that share  a cornercorner with one Ti(6)N2O4 octahedra, corners with two equivalent Ti(1)N2O4 octahedra, corners with three equivalent Ti(5)N3O2 trigonal bipyramids,  an edgeedge with one Ti(2)N3O3 octahedra,  an edgeedge with one Ti(3)N3O3 octahedra, and edges with two equivalent Ti(6)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 12-15°. In the second Ti site, Ti(2) is bonded to one N(1), two equivalent N(4), one O(2), one O(3), and one O(5) atom to form distorted TiN3O3 octahedra that share  a cornercorner with one Ti(3)N3O3 octahedra, corners with two equivalent Ti(2)N3O3 octahedra,  a cornercorner with one Ti(4)N2O4 pentagonal pyramid,  an edgeedge with one Ti(1)N2O4 octahedra, edges with two equivalent Ti(4)N2O4 pentagonal pyramids, and edges with three equivalent Ti(5)N3O2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 32-57°. In the third Ti site, Ti(3) is bonded to one N(2), two equivalent N(3), one O(1), one O(2), and one O(6) atom to form distorted TiN3O3 octahedra that share  a cornercorner with one Ti(2)N3O3 octahedra, corners with two equivalent Ti(3)N3O3 octahedra,  a cornercorner with one Ti(4)N2O4 pentagonal pyramid,  an edgeedge with one Ti(1)N2O4 octahedra, edges with three equivalent Ti(6)N2O4 octahedra, and edges with two equivalent Ti(4)N2O4 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 37-57°. In the fourth Ti site, Ti(4) is bonded to one N(3), one N(4), one O(5), one O(6), and two equivalent O(2) atoms to form distorted TiN2O4 pentagonal pyramids that share  a cornercorner with one Ti(2)N3O3 octahedra,  a cornercorner with one Ti(3)N3O3 octahedra, corners with two equivalent Ti(4)N2O4 pentagonal pyramids,  an edgeedge with one Ti(6)N2O4 octahedra, edges with two equivalent Ti(2)N3O3 octahedra, edges with two equivalent Ti(3)N3O3 octahedra, and  an edgeedge with one Ti(5)N3O2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 16-18°. In the fifth Ti site, Ti(5) is bonded to one N(4), two equivalent N(1), one O(3), and one O(5) atom to form distorted TiN3O2 trigonal bipyramids that share corners with three equivalent Ti(1)N2O4 octahedra, corners with two equivalent Ti(5)N3O2 trigonal bipyramids, edges with three equivalent Ti(2)N3O3 octahedra, and  an edgeedge with one Ti(4)N2O4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 17-70°. In the sixth Ti site, Ti(6) is bonded to one N(2), one N(3), one O(4), one O(6), and two equivalent O(1) atoms to form distorted TiN2O4 octahedra that share  a cornercorner with one Ti(1)N2O4 octahedra, corners with two equivalent Ti(6)N2O4 octahedra, edges with two equivalent Ti(1)N2O4 octahedra, edges with three equivalent Ti(3)N3O3 octahedra, and  an edgeedge with one Ti(4)N2O4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 12-29°. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Mg(1), one Ti(1), one Ti(2), and two equivalent Ti(5) atoms to form NMgTi4 trigonal bipyramids that share corners with two equivalent N(1)MgTi4 trigonal bipyramids, corners with three equivalent N(2)Mg2Ti3 trigonal bipyramids,  an edgeedge with one O(1)MgTi4 trigonal bipyramid, edges with three equivalent O(3)Mg2Ti3 trigonal bipyramids, and edges with two equivalent N(4)Ti4 trigonal pyramids. In the second N site, N(2) is bonded to two equivalent Mg(1), one Ti(1), one Ti(3), and one Ti(6) atom to form NMg2Ti3 trigonal bipyramids that share corners with two equivalent N(2)Mg2Ti3 trigonal bipyramids, corners with two equivalent O(3)Mg2Ti3 trigonal bipyramids, corners with three equivalent N(1)MgTi4 trigonal bipyramids, corners with three equivalent N(3)Ti4 trigonal pyramids, edges with three equivalent O(1)MgTi4 trigonal bipyramids, and  a faceface with one O(3)Mg2Ti3 trigonal bipyramid. In the third N site, N(3) is bonded to one Ti(4), one Ti(6), and two equivalent Ti(3) atoms to form NTi4 trigonal pyramids that share corners with three equivalent N(2)Mg2Ti3 trigonal bipyramids,  a cornercorner with one N(4)Ti4 trigonal pyramid, corners with two equivalent N(3)Ti4 trigonal pyramids, and edges with two equivalent O(1)MgTi4 trigonal bipyramids. In the fourth N site, N(4) is bonded to one Ti(4), one Ti(5), and two equivalent Ti(2) atoms to form NTi4 trigonal pyramids that share corners with three equivalent O(3)Mg2Ti3 trigonal bipyramids,  a cornercorner with one N(3)Ti4 trigonal pyramid, corners with two equivalent N(4)Ti4 trigonal pyramids, and edges with two equivalent N(1)MgTi4 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(1), one Ti(3), and two equivalent Ti(6) atoms to form distorted OMgTi4 trigonal bipyramids that share corners with two equivalent O(1)MgTi4 trigonal bipyramids, corners with three equivalent O(3)Mg2Ti3 trigonal bipyramids,  an edgeedge with one N(1)MgTi4 trigonal bipyramid, edges with three equivalent N(2)Mg2Ti3 trigonal bipyramids, and edges with two equivalent N(3)Ti4 trigonal pyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Ti(2), one Ti(3), and two equivalent Ti(4) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1), one Ti(1), one Ti(2), and one Ti(5) atom to form distorted OMg2Ti3 trigonal bipyramids that share corners with two equivalent N(2)Mg2Ti3 trigonal bipyramids, corners with two equivalent O(3)Mg2Ti3 trigonal bipyramids, corners with three equivalent O(1)MgTi4 trigonal bipyramids, corners with three equivalent N(4)Ti4 trigonal pyramids, edges with three equivalent N(1)MgTi4 trigonal bipyramids, and  a faceface with one N(2)Mg2Ti3 trigonal bipyramid. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(6), and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Ti(2), one Ti(4), and one Ti(5) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Ti(3), one Ti(4), and one Ti(6) atom. is represented by the CIF card [CIF]
data_MgTi6(N2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.832
_cell_length_b   5.368
_cell_length_c   10.050
_cell_angle_alpha   92.608
_cell_angle_beta   89.999
_cell_angle_gamma   110.908
_symmetry_Int_Tables_number   1
_cell_volume   192.880
_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  0.495  0.990  0.266  1.0
  Ti  Ti1  1  0.200  0.402  0.245  1.0
  Ti  Ti2  1  0.152  0.304  0.953  1.0
  Ti  Ti3  1  0.128  0.257  0.550  1.0
  Ti  Ti4  1  0.794  0.590  0.748  1.0
  Ti  Ti5  1  0.863  0.727  0.033  1.0
  Ti  Ti6  1  0.856  0.713  0.455  1.0
  N  N7  1  0.331  0.662  0.097  1.0
  N  N8  1  0.032  0.065  0.373  1.0
  N  N9  1  0.690  0.380  0.568  1.0
  N  N10  1  0.693  0.386  0.917  1.0
  O  O11  1  0.326  0.653  0.415  1.0
  O  O12  1  0.250  0.501  0.744  1.0
  O  O13  1  0.050  0.101  0.118  1.0
  O  O14  1  0.712  0.425  0.267  1.0
  O  O15  1  0.955  0.911  0.876  1.0
  O  O16  1  0.954  0.908  0.620  1.0
[/CIF]
.
The material structure described by MgTi6(N2O3)2 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 7-coordinate geometry to one N(1), two equivalent N(2), one O(1), one O(4), and two equivalent O(3) atoms. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one N(1), one N(2), one O(1), one O(3), and two equivalent O(4) atoms to form distorted TiN2O4 octahedra that share  a cornercorner with one Ti(6)N2O4 octahedra, corners with two equivalent Ti(1)N2O4 octahedra, corners with three equivalent Ti(5)N3O2 trigonal bipyramids,  an edgeedge with one Ti(2)N3O3 octahedra,  an edgeedge with one Ti(3)N3O3 octahedra, and edges with two equivalent Ti(6)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 12-15°. In the second Ti site, Ti(2) is bonded to one N(1), two equivalent N(4), one O(2), one O(3), and one O(5) atom to form distorted TiN3O3 octahedra that share  a cornercorner with one Ti(3)N3O3 octahedra, corners with two equivalent Ti(2)N3O3 octahedra,  a cornercorner with one Ti(4)N2O4 pentagonal pyramid,  an edgeedge with one Ti(1)N2O4 octahedra, edges with two equivalent Ti(4)N2O4 pentagonal pyramids, and edges with three equivalent Ti(5)N3O2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 32-57°. In the third Ti site, Ti(3) is bonded to one N(2), two equivalent N(3), one O(1), one O(2), and one O(6) atom to form distorted TiN3O3 octahedra that share  a cornercorner with one Ti(2)N3O3 octahedra, corners with two equivalent Ti(3)N3O3 octahedra,  a cornercorner with one Ti(4)N2O4 pentagonal pyramid,  an edgeedge with one Ti(1)N2O4 octahedra, edges with three equivalent Ti(6)N2O4 octahedra, and edges with two equivalent Ti(4)N2O4 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 37-57°. In the fourth Ti site, Ti(4) is bonded to one N(3), one N(4), one O(5), one O(6), and two equivalent O(2) atoms to form distorted TiN2O4 pentagonal pyramids that share  a cornercorner with one Ti(2)N3O3 octahedra,  a cornercorner with one Ti(3)N3O3 octahedra, corners with two equivalent Ti(4)N2O4 pentagonal pyramids,  an edgeedge with one Ti(6)N2O4 octahedra, edges with two equivalent Ti(2)N3O3 octahedra, edges with two equivalent Ti(3)N3O3 octahedra, and  an edgeedge with one Ti(5)N3O2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 16-18°. In the fifth Ti site, Ti(5) is bonded to one N(4), two equivalent N(1), one O(3), and one O(5) atom to form distorted TiN3O2 trigonal bipyramids that share corners with three equivalent Ti(1)N2O4 octahedra, corners with two equivalent Ti(5)N3O2 trigonal bipyramids, edges with three equivalent Ti(2)N3O3 octahedra, and  an edgeedge with one Ti(4)N2O4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 17-70°. In the sixth Ti site, Ti(6) is bonded to one N(2), one N(3), one O(4), one O(6), and two equivalent O(1) atoms to form distorted TiN2O4 octahedra that share  a cornercorner with one Ti(1)N2O4 octahedra, corners with two equivalent Ti(6)N2O4 octahedra, edges with two equivalent Ti(1)N2O4 octahedra, edges with three equivalent Ti(3)N3O3 octahedra, and  an edgeedge with one Ti(4)N2O4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 12-29°. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Mg(1), one Ti(1), one Ti(2), and two equivalent Ti(5) atoms to form NMgTi4 trigonal bipyramids that share corners with two equivalent N(1)MgTi4 trigonal bipyramids, corners with three equivalent N(2)Mg2Ti3 trigonal bipyramids,  an edgeedge with one O(1)MgTi4 trigonal bipyramid, edges with three equivalent O(3)Mg2Ti3 trigonal bipyramids, and edges with two equivalent N(4)Ti4 trigonal pyramids. In the second N site, N(2) is bonded to two equivalent Mg(1), one Ti(1), one Ti(3), and one Ti(6) atom to form NMg2Ti3 trigonal bipyramids that share corners with two equivalent N(2)Mg2Ti3 trigonal bipyramids, corners with two equivalent O(3)Mg2Ti3 trigonal bipyramids, corners with three equivalent N(1)MgTi4 trigonal bipyramids, corners with three equivalent N(3)Ti4 trigonal pyramids, edges with three equivalent O(1)MgTi4 trigonal bipyramids, and  a faceface with one O(3)Mg2Ti3 trigonal bipyramid. In the third N site, N(3) is bonded to one Ti(4), one Ti(6), and two equivalent Ti(3) atoms to form NTi4 trigonal pyramids that share corners with three equivalent N(2)Mg2Ti3 trigonal bipyramids,  a cornercorner with one N(4)Ti4 trigonal pyramid, corners with two equivalent N(3)Ti4 trigonal pyramids, and edges with two equivalent O(1)MgTi4 trigonal bipyramids. In the fourth N site, N(4) is bonded to one Ti(4), one Ti(5), and two equivalent Ti(2) atoms to form NTi4 trigonal pyramids that share corners with three equivalent O(3)Mg2Ti3 trigonal bipyramids,  a cornercorner with one N(3)Ti4 trigonal pyramid, corners with two equivalent N(4)Ti4 trigonal pyramids, and edges with two equivalent N(1)MgTi4 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(1), one Ti(3), and two equivalent Ti(6) atoms to form distorted OMgTi4 trigonal bipyramids that share corners with two equivalent O(1)MgTi4 trigonal bipyramids, corners with three equivalent O(3)Mg2Ti3 trigonal bipyramids,  an edgeedge with one N(1)MgTi4 trigonal bipyramid, edges with three equivalent N(2)Mg2Ti3 trigonal bipyramids, and edges with two equivalent N(3)Ti4 trigonal pyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Ti(2), one Ti(3), and two equivalent Ti(4) atoms. In the third O site, O(3) is bonded to two equivalent Mg(1), one Ti(1), one Ti(2), and one Ti(5) atom to form distorted OMg2Ti3 trigonal bipyramids that share corners with two equivalent N(2)Mg2Ti3 trigonal bipyramids, corners with two equivalent O(3)Mg2Ti3 trigonal bipyramids, corners with three equivalent O(1)MgTi4 trigonal bipyramids, corners with three equivalent N(4)Ti4 trigonal pyramids, edges with three equivalent N(1)MgTi4 trigonal bipyramids, and  a faceface with one N(2)Mg2Ti3 trigonal bipyramid. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(6), and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Ti(2), one Ti(4), and one Ti(5) atom. In the sixth O site, O(6) is bonded in a T-shaped geometry to one Ti(3), one Ti(4), and one Ti(6) atom. is represented by the CIF card [CIF]
data_MgTi6(N2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.832
_cell_length_b   5.368
_cell_length_c   10.050
_cell_angle_alpha   92.608
_cell_angle_beta   89.999
_cell_angle_gamma   110.908
_symmetry_Int_Tables_number   1
_cell_volume   192.880
_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  0.495  0.990  0.266  1.0
  Ti  Ti1  1  0.200  0.402  0.245  1.0
  Ti  Ti2  1  0.152  0.304  0.953  1.0
  Ti  Ti3  1  0.128  0.257  0.550  1.0
  Ti  Ti4  1  0.794  0.590  0.748  1.0
  Ti  Ti5  1  0.863  0.727  0.033  1.0
  Ti  Ti6  1  0.856  0.713  0.455  1.0
  N  N7  1  0.331  0.662  0.097  1.0
  N  N8  1  0.032  0.065  0.373  1.0
  N  N9  1  0.690  0.380  0.568  1.0
  N  N10  1  0.693  0.386  0.917  1.0
  O  O11  1  0.326  0.653  0.415  1.0
  O  O12  1  0.250  0.501  0.744  1.0
  O  O13  1  0.050  0.101  0.118  1.0
  O  O14  1  0.712  0.425  0.267  1.0
  O  O15  1  0.955  0.911  0.876  1.0
  O  O16  1  0.954  0.908  0.620  1.0
[/CIF]
.