The material described by MgTi2(NiO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of corner and face-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 33-34°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of corner and face-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 33-34°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Ni site, Ni(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(1), one Ti(2), and one Ni(1) atom to form distorted OMgTi2Ni trigonal pyramids that share corners with two equivalent O(6)MgTi2Ni2 trigonal bipyramids, corners with four equivalent O(5)MgTi2Ni2 trigonal bipyramids, corners with two equivalent O(2)MgTi2Ni trigonal pyramids, corners with two equivalent O(3)MgTi2Ni trigonal pyramids,  an edgeedge with one O(6)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(2)MgTi2Ni trigonal pyramid, and  an edgeedge with one O(3)MgTi2Ni trigonal pyramid. In the second O site, O(2) is bonded to one Mg(1), one Ti(1), one Ti(2), and one Ni(1) atom to form distorted OMgTi2Ni trigonal pyramids that share corners with two equivalent O(5)MgTi2Ni2 trigonal bipyramids, corners with four equivalent O(6)MgTi2Ni2 trigonal bipyramids, corners with two equivalent O(1)MgTi2Ni trigonal pyramids, corners with two equivalent O(3)MgTi2Ni trigonal pyramids,  an edgeedge with one O(5)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(1)MgTi2Ni trigonal pyramid, and  an edgeedge with one O(3)MgTi2Ni trigonal pyramid. In the third O site, O(3) is bonded to one Mg(1), one Ti(1), one Ti(2), and one Ni(1) atom to form distorted OMgTi2Ni trigonal pyramids that share corners with two equivalent O(5)MgTi2Ni2 trigonal bipyramids, corners with two equivalent O(6)MgTi2Ni2 trigonal bipyramids, corners with two equivalent O(1)MgTi2Ni trigonal pyramids, corners with two equivalent O(2)MgTi2Ni trigonal pyramids,  an edgeedge with one O(5)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(6)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(1)MgTi2Ni trigonal pyramid, and  an edgeedge with one O(2)MgTi2Ni trigonal pyramid. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), one Ni(1), and one Ni(2) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Ti(1), one Ti(2), one Ni(1), and one Ni(2) atom to form distorted OMgTi2Ni2 trigonal bipyramids that share  a cornercorner with one O(6)MgTi2Ni2 trigonal bipyramid, corners with two equivalent O(2)MgTi2Ni trigonal pyramids, corners with two equivalent O(3)MgTi2Ni trigonal pyramids, corners with four equivalent O(1)MgTi2Ni trigonal pyramids, edges with two equivalent O(6)MgTi2Ni2 trigonal bipyramids,  an edgeedge with one O(2)MgTi2Ni trigonal pyramid, and  an edgeedge with one O(3)MgTi2Ni trigonal pyramid. In the sixth O site, O(6) is bonded to one Mg(1), one Ti(1), one Ti(2), one Ni(1), and one Ni(2) atom to form distorted OMgTi2Ni2 trigonal bipyramids that share  a cornercorner with one O(5)MgTi2Ni2 trigonal bipyramid, corners with two equivalent O(1)MgTi2Ni trigonal pyramids, corners with two equivalent O(3)MgTi2Ni trigonal pyramids, corners with four equivalent O(2)MgTi2Ni trigonal pyramids, edges with two equivalent O(5)MgTi2Ni2 trigonal bipyramids,  an edgeedge with one O(1)MgTi2Ni trigonal pyramid, and  an edgeedge with one O(3)MgTi2Ni trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.801
_cell_length_b   5.811
_cell_length_c   5.799
_cell_angle_alpha   53.555
_cell_angle_beta   53.506
_cell_angle_gamma   53.651
_symmetry_Int_Tables_number   1
_cell_volume   117.442
_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  0.207  0.208  0.208  1.0
  Ti  Ti1  1  0.016  0.014  0.018  1.0
  Ti  Ti2  1  0.842  0.845  0.842  1.0
  Ni  Ni3  1  0.657  0.656  0.659  1.0
  Ni  Ni4  1  0.431  0.434  0.434  1.0
  O  O5  1  0.929  0.233  0.631  1.0
  O  O6  1  0.631  0.927  0.234  1.0
  O  O7  1  0.233  0.631  0.927  1.0
  O  O8  1  0.048  0.823  0.426  1.0
  O  O9  1  0.434  0.041  0.817  1.0
  O  O10  1  0.824  0.428  0.042  1.0
[/CIF]
.
The material described by MgTi2(NiO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of corner and face-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 33-34°. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form a mixture of corner and face-sharing TiO6 octahedra. The corner-sharing octahedral tilt angles range from 33-34°. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. In the second Ni site, Ni(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Ti(1), one Ti(2), and one Ni(1) atom to form distorted OMgTi2Ni trigonal pyramids that share corners with two equivalent O(6)MgTi2Ni2 trigonal bipyramids, corners with four equivalent O(5)MgTi2Ni2 trigonal bipyramids, corners with two equivalent O(2)MgTi2Ni trigonal pyramids, corners with two equivalent O(3)MgTi2Ni trigonal pyramids,  an edgeedge with one O(6)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(2)MgTi2Ni trigonal pyramid, and  an edgeedge with one O(3)MgTi2Ni trigonal pyramid. In the second O site, O(2) is bonded to one Mg(1), one Ti(1), one Ti(2), and one Ni(1) atom to form distorted OMgTi2Ni trigonal pyramids that share corners with two equivalent O(5)MgTi2Ni2 trigonal bipyramids, corners with four equivalent O(6)MgTi2Ni2 trigonal bipyramids, corners with two equivalent O(1)MgTi2Ni trigonal pyramids, corners with two equivalent O(3)MgTi2Ni trigonal pyramids,  an edgeedge with one O(5)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(1)MgTi2Ni trigonal pyramid, and  an edgeedge with one O(3)MgTi2Ni trigonal pyramid. In the third O site, O(3) is bonded to one Mg(1), one Ti(1), one Ti(2), and one Ni(1) atom to form distorted OMgTi2Ni trigonal pyramids that share corners with two equivalent O(5)MgTi2Ni2 trigonal bipyramids, corners with two equivalent O(6)MgTi2Ni2 trigonal bipyramids, corners with two equivalent O(1)MgTi2Ni trigonal pyramids, corners with two equivalent O(2)MgTi2Ni trigonal pyramids,  an edgeedge with one O(5)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(6)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(1)MgTi2Ni trigonal pyramid, and  an edgeedge with one O(2)MgTi2Ni trigonal pyramid. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one Ti(2), one Ni(1), and one Ni(2) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Ti(1), one Ti(2), one Ni(1), and one Ni(2) atom to form distorted OMgTi2Ni2 trigonal bipyramids that share  a cornercorner with one O(6)MgTi2Ni2 trigonal bipyramid, corners with two equivalent O(2)MgTi2Ni trigonal pyramids, corners with two equivalent O(3)MgTi2Ni trigonal pyramids, corners with four equivalent O(1)MgTi2Ni trigonal pyramids, edges with two equivalent O(6)MgTi2Ni2 trigonal bipyramids,  an edgeedge with one O(2)MgTi2Ni trigonal pyramid, and  an edgeedge with one O(3)MgTi2Ni trigonal pyramid. In the sixth O site, O(6) is bonded to one Mg(1), one Ti(1), one Ti(2), one Ni(1), and one Ni(2) atom to form distorted OMgTi2Ni2 trigonal bipyramids that share  a cornercorner with one O(5)MgTi2Ni2 trigonal bipyramid, corners with two equivalent O(1)MgTi2Ni trigonal pyramids, corners with two equivalent O(3)MgTi2Ni trigonal pyramids, corners with four equivalent O(2)MgTi2Ni trigonal pyramids, edges with two equivalent O(5)MgTi2Ni2 trigonal bipyramids,  an edgeedge with one O(1)MgTi2Ni trigonal pyramid, and  an edgeedge with one O(3)MgTi2Ni trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi2(NiO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.801
_cell_length_b   5.811
_cell_length_c   5.799
_cell_angle_alpha   53.555
_cell_angle_beta   53.506
_cell_angle_gamma   53.651
_symmetry_Int_Tables_number   1
_cell_volume   117.442
_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  0.207  0.208  0.208  1.0
  Ti  Ti1  1  0.016  0.014  0.018  1.0
  Ti  Ti2  1  0.842  0.845  0.842  1.0
  Ni  Ni3  1  0.657  0.656  0.659  1.0
  Ni  Ni4  1  0.431  0.434  0.434  1.0
  O  O5  1  0.929  0.233  0.631  1.0
  O  O6  1  0.631  0.927  0.234  1.0
  O  O7  1  0.233  0.631  0.927  1.0
  O  O8  1  0.048  0.823  0.426  1.0
  O  O9  1  0.434  0.041  0.817  1.0
  O  O10  1  0.824  0.428  0.042  1.0
[/CIF]
.