The compound described by MgTi6(N2O3)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent N(2) and four equivalent O(2) atoms to form distorted MgN2O4 octahedra that share corners with two equivalent Ti(2)N3O3 octahedra, corners with six equivalent Ti(1)N2O4 octahedra, edges with two equivalent Mg(1)N2O4 octahedra, and faces with four equivalent Ti(2)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 30-73°. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one N(1), one N(2), one O(2), one O(3), and two equivalent O(1) atoms to form TiN2O4 octahedra that share  a cornercorner with one Ti(2)N3O3 octahedra,  a cornercorner with one Ti(3)N3O3 octahedra, corners with two equivalent Ti(1)N2O4 octahedra, corners with three equivalent Mg(1)N2O4 octahedra, edges with three equivalent Ti(2)N3O3 octahedra, and edges with three equivalent Ti(3)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 17-65°. In the second Ti site, Ti(2) is bonded to three equivalent N(2), one O(1), and two equivalent O(2) atoms to form distorted TiN3O3 octahedra that share  a cornercorner with one Mg(1)N2O4 octahedra,  a cornercorner with one Ti(1)N2O4 octahedra,  a cornercorner with one Ti(3)N3O3 octahedra, corners with two equivalent Ti(2)N3O3 octahedra, edges with three equivalent Ti(1)N2O4 octahedra, edges with three equivalent Ti(2)N3O3 octahedra, and faces with two equivalent Mg(1)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 6-73°. In the third Ti site, Ti(3) is bonded to three equivalent N(1), one O(1), and two equivalent O(3) atoms to form distorted TiN3O3 octahedra that share  a cornercorner with one Ti(1)N2O4 octahedra,  a cornercorner with one Ti(2)N3O3 octahedra, corners with two equivalent Ti(3)N3O3 octahedra, edges with three equivalent Ti(1)N2O4 octahedra, and edges with three equivalent Ti(3)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 18-62°. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ti(1) and three equivalent Ti(3) atoms to form NTi4 trigonal pyramids that share  a cornercorner with one N(2)MgTi4 trigonal bipyramid, corners with two equivalent N(1)Ti4 trigonal pyramids, and edges with two equivalent N(1)Ti4 trigonal pyramids. In the second N site, N(2) is bonded to one Mg(1), one Ti(1), and three equivalent Ti(2) atoms to form NMgTi4 trigonal bipyramids that share corners with three equivalent N(2)MgTi4 trigonal bipyramids,  a cornercorner with one N(1)Ti4 trigonal pyramid, and edges with two equivalent N(2)MgTi4 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to one Ti(2), one Ti(3), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Ti(1), and two equivalent Ti(2) atoms. In the third O site, O(3) is bonded in a T-shaped geometry to one Ti(1) 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   4.015
_cell_length_b   5.283
_cell_length_c   9.885
_cell_angle_alpha   92.682
_cell_angle_beta   90.000
_cell_angle_gamma   112.332
_symmetry_Int_Tables_number   1
_cell_volume   193.668
_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  0.500  0.000  0.000  1.0
  Ti  Ti1  1  0.194  0.389  0.249  1.0
  Ti  Ti2  1  0.174  0.348  0.922  1.0
  Ti  Ti3  1  0.148  0.297  0.545  1.0
  Ti  Ti4  1  0.806  0.611  0.751  1.0
  Ti  Ti5  1  0.826  0.652  0.078  1.0
  Ti  Ti6  1  0.852  0.703  0.455  1.0
  N  N7  1  0.308  0.615  0.424  1.0
  N  N8  1  0.315  0.630  0.080  1.0
  N  N9  1  0.692  0.385  0.576  1.0
  N  N10  1  0.685  0.370  0.920  1.0
  O  O11  1  0.275  0.550  0.751  1.0
  O  O12  1  0.038  0.076  0.114  1.0
  O  O13  1  0.040  0.080  0.381  1.0
  O  O14  1  0.962  0.924  0.886  1.0
  O  O15  1  0.725  0.450  0.249  1.0
  O  O16  1  0.960  0.920  0.619  1.0
[/CIF]
.
The compound described by MgTi6(N2O3)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent N(2) and four equivalent O(2) atoms to form distorted MgN2O4 octahedra that share corners with two equivalent Ti(2)N3O3 octahedra, corners with six equivalent Ti(1)N2O4 octahedra, edges with two equivalent Mg(1)N2O4 octahedra, and faces with four equivalent Ti(2)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 30-73°. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one N(1), one N(2), one O(2), one O(3), and two equivalent O(1) atoms to form TiN2O4 octahedra that share  a cornercorner with one Ti(2)N3O3 octahedra,  a cornercorner with one Ti(3)N3O3 octahedra, corners with two equivalent Ti(1)N2O4 octahedra, corners with three equivalent Mg(1)N2O4 octahedra, edges with three equivalent Ti(2)N3O3 octahedra, and edges with three equivalent Ti(3)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 17-65°. In the second Ti site, Ti(2) is bonded to three equivalent N(2), one O(1), and two equivalent O(2) atoms to form distorted TiN3O3 octahedra that share  a cornercorner with one Mg(1)N2O4 octahedra,  a cornercorner with one Ti(1)N2O4 octahedra,  a cornercorner with one Ti(3)N3O3 octahedra, corners with two equivalent Ti(2)N3O3 octahedra, edges with three equivalent Ti(1)N2O4 octahedra, edges with three equivalent Ti(2)N3O3 octahedra, and faces with two equivalent Mg(1)N2O4 octahedra. The corner-sharing octahedral tilt angles range from 6-73°. In the third Ti site, Ti(3) is bonded to three equivalent N(1), one O(1), and two equivalent O(3) atoms to form distorted TiN3O3 octahedra that share  a cornercorner with one Ti(1)N2O4 octahedra,  a cornercorner with one Ti(2)N3O3 octahedra, corners with two equivalent Ti(3)N3O3 octahedra, edges with three equivalent Ti(1)N2O4 octahedra, and edges with three equivalent Ti(3)N3O3 octahedra. The corner-sharing octahedral tilt angles range from 18-62°. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Ti(1) and three equivalent Ti(3) atoms to form NTi4 trigonal pyramids that share  a cornercorner with one N(2)MgTi4 trigonal bipyramid, corners with two equivalent N(1)Ti4 trigonal pyramids, and edges with two equivalent N(1)Ti4 trigonal pyramids. In the second N site, N(2) is bonded to one Mg(1), one Ti(1), and three equivalent Ti(2) atoms to form NMgTi4 trigonal bipyramids that share corners with three equivalent N(2)MgTi4 trigonal bipyramids,  a cornercorner with one N(1)Ti4 trigonal pyramid, and edges with two equivalent N(2)MgTi4 trigonal bipyramids. There are three inequivalent O sites. In the first O site, O(1) is bonded in a see-saw-like geometry to one Ti(2), one Ti(3), and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Ti(1), and two equivalent Ti(2) atoms. In the third O site, O(3) is bonded in a T-shaped geometry to one Ti(1) 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   4.015
_cell_length_b   5.283
_cell_length_c   9.885
_cell_angle_alpha   92.682
_cell_angle_beta   90.000
_cell_angle_gamma   112.332
_symmetry_Int_Tables_number   1
_cell_volume   193.668
_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  0.500  0.000  0.000  1.0
  Ti  Ti1  1  0.194  0.389  0.249  1.0
  Ti  Ti2  1  0.174  0.348  0.922  1.0
  Ti  Ti3  1  0.148  0.297  0.545  1.0
  Ti  Ti4  1  0.806  0.611  0.751  1.0
  Ti  Ti5  1  0.826  0.652  0.078  1.0
  Ti  Ti6  1  0.852  0.703  0.455  1.0
  N  N7  1  0.308  0.615  0.424  1.0
  N  N8  1  0.315  0.630  0.080  1.0
  N  N9  1  0.692  0.385  0.576  1.0
  N  N10  1  0.685  0.370  0.920  1.0
  O  O11  1  0.275  0.550  0.751  1.0
  O  O12  1  0.038  0.076  0.114  1.0
  O  O13  1  0.040  0.080  0.381  1.0
  O  O14  1  0.962  0.924  0.886  1.0
  O  O15  1  0.725  0.450  0.249  1.0
  O  O16  1  0.960  0.920  0.619  1.0
[/CIF]
.