The structure described by MgTi6(N2O3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 7-coordinate geometry to one N(3), one N(4), one O(5), two equivalent O(3), and two equivalent O(4) atoms. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one N(1), one N(3), one O(2), one O(3), and two equivalent O(5) atoms to form TiN2O4 octahedra that share  a cornercorner with one Ti(4)N3O3 octahedra, corners with two equivalent Ti(1)N2O4 octahedra, edges with two equivalent Ti(4)N3O3 octahedra, and  an edgeedge with one Ti(3)N2O4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 16-20°. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one N(2), one N(3), two equivalent N(4), one O(1), and one O(4) atom. In the third Ti site, Ti(3) is bonded to one N(1), one N(2), one O(1), one O(2), and two equivalent O(6) atoms to form distorted TiN2O4 pentagonal pyramids that share  a cornercorner with one Ti(5)N3O3 octahedra, corners with two equivalent Ti(3)N2O4 pentagonal pyramids,  an edgeedge with one Ti(1)N2O4 octahedra, and edges with two equivalent Ti(5)N3O3 octahedra. The corner-sharing octahedral tilt angles are 22°. In the fourth Ti site, Ti(4) is bonded to one N(4), two equivalent N(3), one O(3), one O(4), and one O(5) atom to form distorted TiN3O3 octahedra that share  a cornercorner with one Ti(1)N2O4 octahedra, corners with two equivalent Ti(4)N3O3 octahedra,  an edgeedge with one Ti(5)N3O3 octahedra, and edges with two equivalent Ti(1)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 17-20°. In the fifth Ti site, Ti(5) is bonded to one N(4), two equivalent N(2), one O(1), one O(4), and one O(6) atom to form distorted TiN3O3 octahedra that share corners with two equivalent Ti(5)N3O3 octahedra,  a cornercorner with one Ti(3)N2O4 pentagonal pyramid,  an edgeedge with one Ti(4)N3O3 octahedra, and edges with two equivalent Ti(3)N2O4 pentagonal pyramids. The corner-sharing octahedral tilt angles are 28°. In the sixth Ti site, Ti(6) is bonded in a 6-coordinate geometry to two equivalent N(1), one O(2), one O(3), one O(5), and one O(6) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Ti(1), one Ti(3), and two equivalent Ti(6) atoms to form NTi4 trigonal pyramids that share  a cornercorner with one N(3)MgTi4 trigonal bipyramid, corners with three equivalent O(3)Mg2Ti3 trigonal bipyramids,  a cornercorner with one N(2)Ti4 trigonal pyramid, corners with two equivalent N(1)Ti4 trigonal pyramids, and edges with two equivalent O(5)MgTi4 square pyramids. In the second N site, N(2) is bonded to one Ti(2), one Ti(3), and two equivalent Ti(5) atoms to form NTi4 trigonal pyramids that share  a cornercorner with one N(3)MgTi4 trigonal bipyramid,  a cornercorner with one N(1)Ti4 trigonal pyramid, corners with two equivalent N(2)Ti4 trigonal pyramids, and edges with two equivalent N(4)MgTi4 trigonal bipyramids. In the third N site, N(3) is bonded to one Mg(1), one Ti(1), one Ti(2), and two equivalent Ti(4) atoms to form distorted NMgTi4 trigonal bipyramids that share  a cornercorner with one O(5)MgTi4 square pyramid,  a cornercorner with one N(4)MgTi4 trigonal bipyramid,  a cornercorner with one O(3)Mg2Ti3 trigonal bipyramid, corners with two equivalent N(3)MgTi4 trigonal bipyramids,  a cornercorner with one N(1)Ti4 trigonal pyramid,  a cornercorner with one N(2)Ti4 trigonal pyramid, edges with two equivalent O(5)MgTi4 square pyramids, edges with two equivalent N(4)MgTi4 trigonal bipyramids, and edges with two equivalent O(3)Mg2Ti3 trigonal bipyramids. In the fourth N site, N(4) is bonded to one Mg(1), one Ti(4), one Ti(5), and two equivalent Ti(2) atoms to form distorted NMgTi4 trigonal bipyramids that share  a cornercorner with one N(3)MgTi4 trigonal bipyramid, corners with two equivalent N(4)MgTi4 trigonal bipyramids, corners with three equivalent O(3)Mg2Ti3 trigonal bipyramids,  an edgeedge with one O(5)MgTi4 square pyramid, edges with two equivalent N(3)MgTi4 trigonal bipyramids, and edges with two equivalent N(2)Ti4 trigonal pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Ti(2), one Ti(3), and one Ti(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(3), and one Ti(6) atom. In the third O site, O(3) is bonded to two equivalent Mg(1), one Ti(1), one Ti(4), and one Ti(6) atom to form OMg2Ti3 trigonal bipyramids that share  a cornercorner with one N(3)MgTi4 trigonal bipyramid, corners with two equivalent O(3)Mg2Ti3 trigonal bipyramids, corners with three equivalent N(4)MgTi4 trigonal bipyramids, corners with three equivalent N(1)Ti4 trigonal pyramids, edges with three equivalent O(5)MgTi4 square pyramids, and edges with two equivalent N(3)MgTi4 trigonal bipyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Ti(2), one Ti(4), and one Ti(5) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Ti(4), one Ti(6), and two equivalent Ti(1) atoms to form distorted OMgTi4 square pyramids that share corners with two equivalent O(5)MgTi4 square pyramids,  a cornercorner with one N(3)MgTi4 trigonal bipyramid,  an edgeedge with one N(4)MgTi4 trigonal bipyramid, edges with two equivalent N(3)MgTi4 trigonal bipyramids, edges with three equivalent O(3)Mg2Ti3 trigonal bipyramids, and edges with two equivalent N(1)Ti4 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Ti(5), one Ti(6), and two equivalent Ti(3) atoms. is represented by the CIF card [CIF]
data_MgTi6(N2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.935
_cell_length_b   5.283
_cell_length_c   9.926
_cell_angle_alpha   92.765
_cell_angle_beta   90.009
_cell_angle_gamma   111.867
_symmetry_Int_Tables_number   1
_cell_volume   191.272
_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  0.489  0.977  0.719  1.0
  Ti  Ti1  1  0.165  0.330  0.559  1.0
  Ti  Ti2  1  0.144  0.290  0.957  1.0
  Ti  Ti3  1  0.211  0.422  0.251  1.0
  Ti  Ti4  1  0.786  0.571  0.764  1.0
  Ti  Ti5  1  0.853  0.707  0.055  1.0
  Ti  Ti6  1  0.874  0.749  0.433  1.0
  N  N7  1  0.315  0.630  0.434  1.0
  N  N8  1  0.314  0.628  0.083  1.0
  N  N9  1  0.271  0.542  0.738  1.0
  N  N10  1  0.664  0.330  0.910  1.0
  O  O11  1  0.048  0.098  0.120  1.0
  O  O12  1  0.048  0.097  0.379  1.0
  O  O13  1  0.962  0.923  0.624  1.0
  O  O14  1  0.947  0.896  0.880  1.0
  O  O15  1  0.660  0.319  0.586  1.0
  O  O16  1  0.751  0.503  0.252  1.0
[/CIF]
.
The structure described by MgTi6(N2O3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 7-coordinate geometry to one N(3), one N(4), one O(5), two equivalent O(3), and two equivalent O(4) atoms. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one N(1), one N(3), one O(2), one O(3), and two equivalent O(5) atoms to form TiN2O4 octahedra that share  a cornercorner with one Ti(4)N3O3 octahedra, corners with two equivalent Ti(1)N2O4 octahedra, edges with two equivalent Ti(4)N3O3 octahedra, and  an edgeedge with one Ti(3)N2O4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 16-20°. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one N(2), one N(3), two equivalent N(4), one O(1), and one O(4) atom. In the third Ti site, Ti(3) is bonded to one N(1), one N(2), one O(1), one O(2), and two equivalent O(6) atoms to form distorted TiN2O4 pentagonal pyramids that share  a cornercorner with one Ti(5)N3O3 octahedra, corners with two equivalent Ti(3)N2O4 pentagonal pyramids,  an edgeedge with one Ti(1)N2O4 octahedra, and edges with two equivalent Ti(5)N3O3 octahedra. The corner-sharing octahedral tilt angles are 22°. In the fourth Ti site, Ti(4) is bonded to one N(4), two equivalent N(3), one O(3), one O(4), and one O(5) atom to form distorted TiN3O3 octahedra that share  a cornercorner with one Ti(1)N2O4 octahedra, corners with two equivalent Ti(4)N3O3 octahedra,  an edgeedge with one Ti(5)N3O3 octahedra, and edges with two equivalent Ti(1)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 17-20°. In the fifth Ti site, Ti(5) is bonded to one N(4), two equivalent N(2), one O(1), one O(4), and one O(6) atom to form distorted TiN3O3 octahedra that share corners with two equivalent Ti(5)N3O3 octahedra,  a cornercorner with one Ti(3)N2O4 pentagonal pyramid,  an edgeedge with one Ti(4)N3O3 octahedra, and edges with two equivalent Ti(3)N2O4 pentagonal pyramids. The corner-sharing octahedral tilt angles are 28°. In the sixth Ti site, Ti(6) is bonded in a 6-coordinate geometry to two equivalent N(1), one O(2), one O(3), one O(5), and one O(6) atom. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Ti(1), one Ti(3), and two equivalent Ti(6) atoms to form NTi4 trigonal pyramids that share  a cornercorner with one N(3)MgTi4 trigonal bipyramid, corners with three equivalent O(3)Mg2Ti3 trigonal bipyramids,  a cornercorner with one N(2)Ti4 trigonal pyramid, corners with two equivalent N(1)Ti4 trigonal pyramids, and edges with two equivalent O(5)MgTi4 square pyramids. In the second N site, N(2) is bonded to one Ti(2), one Ti(3), and two equivalent Ti(5) atoms to form NTi4 trigonal pyramids that share  a cornercorner with one N(3)MgTi4 trigonal bipyramid,  a cornercorner with one N(1)Ti4 trigonal pyramid, corners with two equivalent N(2)Ti4 trigonal pyramids, and edges with two equivalent N(4)MgTi4 trigonal bipyramids. In the third N site, N(3) is bonded to one Mg(1), one Ti(1), one Ti(2), and two equivalent Ti(4) atoms to form distorted NMgTi4 trigonal bipyramids that share  a cornercorner with one O(5)MgTi4 square pyramid,  a cornercorner with one N(4)MgTi4 trigonal bipyramid,  a cornercorner with one O(3)Mg2Ti3 trigonal bipyramid, corners with two equivalent N(3)MgTi4 trigonal bipyramids,  a cornercorner with one N(1)Ti4 trigonal pyramid,  a cornercorner with one N(2)Ti4 trigonal pyramid, edges with two equivalent O(5)MgTi4 square pyramids, edges with two equivalent N(4)MgTi4 trigonal bipyramids, and edges with two equivalent O(3)Mg2Ti3 trigonal bipyramids. In the fourth N site, N(4) is bonded to one Mg(1), one Ti(4), one Ti(5), and two equivalent Ti(2) atoms to form distorted NMgTi4 trigonal bipyramids that share  a cornercorner with one N(3)MgTi4 trigonal bipyramid, corners with two equivalent N(4)MgTi4 trigonal bipyramids, corners with three equivalent O(3)Mg2Ti3 trigonal bipyramids,  an edgeedge with one O(5)MgTi4 square pyramid, edges with two equivalent N(3)MgTi4 trigonal bipyramids, and edges with two equivalent N(2)Ti4 trigonal pyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Ti(2), one Ti(3), and one Ti(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Ti(1), one Ti(3), and one Ti(6) atom. In the third O site, O(3) is bonded to two equivalent Mg(1), one Ti(1), one Ti(4), and one Ti(6) atom to form OMg2Ti3 trigonal bipyramids that share  a cornercorner with one N(3)MgTi4 trigonal bipyramid, corners with two equivalent O(3)Mg2Ti3 trigonal bipyramids, corners with three equivalent N(4)MgTi4 trigonal bipyramids, corners with three equivalent N(1)Ti4 trigonal pyramids, edges with three equivalent O(5)MgTi4 square pyramids, and edges with two equivalent N(3)MgTi4 trigonal bipyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Ti(2), one Ti(4), and one Ti(5) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Ti(4), one Ti(6), and two equivalent Ti(1) atoms to form distorted OMgTi4 square pyramids that share corners with two equivalent O(5)MgTi4 square pyramids,  a cornercorner with one N(3)MgTi4 trigonal bipyramid,  an edgeedge with one N(4)MgTi4 trigonal bipyramid, edges with two equivalent N(3)MgTi4 trigonal bipyramids, edges with three equivalent O(3)Mg2Ti3 trigonal bipyramids, and edges with two equivalent N(1)Ti4 trigonal pyramids. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Ti(5), one Ti(6), and two equivalent Ti(3) atoms. is represented by the CIF card [CIF]
data_MgTi6(N2O3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.935
_cell_length_b   5.283
_cell_length_c   9.926
_cell_angle_alpha   92.765
_cell_angle_beta   90.009
_cell_angle_gamma   111.867
_symmetry_Int_Tables_number   1
_cell_volume   191.272
_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  0.489  0.977  0.719  1.0
  Ti  Ti1  1  0.165  0.330  0.559  1.0
  Ti  Ti2  1  0.144  0.290  0.957  1.0
  Ti  Ti3  1  0.211  0.422  0.251  1.0
  Ti  Ti4  1  0.786  0.571  0.764  1.0
  Ti  Ti5  1  0.853  0.707  0.055  1.0
  Ti  Ti6  1  0.874  0.749  0.433  1.0
  N  N7  1  0.315  0.630  0.434  1.0
  N  N8  1  0.314  0.628  0.083  1.0
  N  N9  1  0.271  0.542  0.738  1.0
  N  N10  1  0.664  0.330  0.910  1.0
  O  O11  1  0.048  0.098  0.120  1.0
  O  O12  1  0.048  0.097  0.379  1.0
  O  O13  1  0.962  0.923  0.624  1.0
  O  O14  1  0.947  0.896  0.880  1.0
  O  O15  1  0.660  0.319  0.586  1.0
  O  O16  1  0.751  0.503  0.252  1.0
[/CIF]
.