The crystal structure described by MgTi8(NiO3)8 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(14), one O(17), one O(2), and one O(21) atom to form distorted MgO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-76°. There are eight inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(13), one O(16), one O(2), one O(3), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra, corners with two equivalent Ti(7)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra,  an edgeedge with one Ni(4)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-57°. In the second Ti site, Ti(2) is bonded to one O(11), one O(17), one O(18), one O(2), one O(23), and one O(4) atom to form TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(8)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(7)O6 octahedra,  an edgeedge with one Ti(8)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-56°. In the third Ti site, Ti(3) is bonded to one O(1), one O(12), one O(19), one O(20), one O(22), and one O(5) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(8)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one Ti(8)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-59°. In the fourth Ti site, Ti(4) is bonded to one O(10), one O(14), one O(15), one O(21), one O(24), and one O(6) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, and  an edgeedge with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-62°. In the fifth Ti site, Ti(5) is bonded to one O(1), one O(10), one O(11), one O(15), one O(19), and one O(4) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and  a faceface with one Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-56°. In the sixth Ti site, Ti(6) is bonded to one O(13), one O(20), one O(24), one O(3), one O(5), and one O(6) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. In the seventh Ti site, Ti(7) is bonded to one O(14), one O(2), one O(21), one O(23), one O(7), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-57°. In the eighth Ti site, Ti(8) is bonded to one O(12), one O(16), one O(17), one O(18), one O(22), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and  a faceface with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-60°. There are eight inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(13), one O(16), one O(3), one O(7), one O(8), and one O(9) atom to form distorted NiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one Ti(7)O6 octahedra,  an edgeedge with one Ti(8)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. In the second Ni site, Ni(2) is bonded to one O(10), one O(12), one O(19), one O(22), one O(5), and one O(7) atom to form distorted NiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, corners with two equivalent Ti(8)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and  a faceface with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-62°. In the third Ni site, Ni(3) is bonded in a 6-coordinate geometry to one O(11), one O(18), one O(23), one O(4), one O(6), and one O(9) atom. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(10), one O(11), one O(4), one O(5), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, and  a faceface with one Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-57°. In the fifth Ni site, Ni(5) is bonded in a 4-coordinate geometry to one O(15), one O(20), one O(21), and one O(24) atom. In the sixth Ni site, Ni(6) is bonded in a 6-coordinate geometry to one O(13), one O(15), one O(18), one O(20), one O(3), and one O(6) atom. In the seventh Ni site, Ni(7) is bonded in a 4-coordinate geometry to one O(14), one O(16), one O(19), and one O(7) atom. In the eighth Ni site, Ni(8) is bonded to one O(12), one O(17), one O(22), one O(23), one O(24), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, and  a faceface with one Ti(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-60°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(3), one Ti(5), and one Ni(4) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Ti(2), and one Ti(7) atom. In the third O site, O(3) is bonded to one Ti(1), one Ti(6), one Ni(1), and one Ni(6) atom to form a mixture of distorted edge and corner-sharing OTi2Ni2 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Ti(2), one Ti(5), one Ni(3), and one Ni(4) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ti(3), one Ti(6), one Ni(2), and one Ni(4) atom. In the sixth O site, O(6) is bonded to one Ti(4), one Ti(6), one Ni(3), and one Ni(6) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(14)MgTi2Ni tetrahedra, corners with two equivalent O(13)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(24)Ti2Ni2 tetrahedra, and  an edgeedge with one O(3)Ti2Ni2 trigonal pyramid. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Ti(7), one Ni(1), one Ni(2), and one Ni(7) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Ti(1), one Ti(7), one Ni(1), and one Ni(4) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Ti(8), one Ni(1), one Ni(3), and one Ni(8) atom. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Ti(4), one Ti(5), one Ni(2), and one Ni(4) atom. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Ti(2), one Ti(5), one Ni(3), and one Ni(4) atom. In the twelfth O site, O(12) is bonded to one Ti(3), one Ti(8), one Ni(2), and one Ni(8) atom to form a mixture of distorted edge and corner-sharing OTi2Ni2 trigonal pyramids. In the thirteenth O site, O(13) is bonded to one Ti(1), one Ti(6), one Ni(1), and one Ni(6) atom to form a mixture of distorted edge and corner-sharing OTi2Ni2 trigonal pyramids. In the fourteenth O site, O(14) is bonded to one Mg(1), one Ti(4), one Ti(7), and one Ni(7) atom to form distorted corner-sharing OMgTi2Ni tetrahedra. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Ti(4), one Ti(5), one Ni(5), and one Ni(6) atom. In the sixteenth O site, O(16) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(8), one Ni(1), and one Ni(7) atom. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(2), one Ti(8), and one Ni(8) atom. In the eighteenth O site, O(18) is bonded in a distorted see-saw-like geometry to one Ti(2), one Ti(8), one Ni(3), and one Ni(6) atom. In the nineteenth O site, O(19) is bonded to one Ti(3), one Ti(5), one Ni(2), and one Ni(7) atom to form distorted OTi2Ni2 tetrahedra that share  a cornercorner with one O(14)MgTi2Ni tetrahedra, corners with two equivalent O(12)Ti2Ni2 trigonal pyramids, and  an edgeedge with one O(22)Ti2Ni2 trigonal pyramid. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Ti(3), one Ti(6), one Ni(5), and one Ni(6) atom. In the twenty-first O site, O(21) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ti(4), one Ti(7), and one Ni(5) atom. In the twenty-second O site, O(22) is bonded to one Ti(3), one Ti(8), one Ni(2), and one Ni(8) atom to form a mixture of distorted edge and corner-sharing OTi2Ni2 trigonal pyramids. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Ti(2), one Ti(7), one Ni(3), and one Ni(8) atom. In the twenty-fourth O site, O(24) is bonded to one Ti(4), one Ti(6), one Ni(5), and one Ni(8) atom to form distorted OTi2Ni2 tetrahedra that share  a cornercorner with one O(14)MgTi2Ni tetrahedra,  a cornercorner with one O(12)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(13)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(22)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(3)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(6)Ti2Ni2 trigonal pyramid. is represented by the CIF file [CIF]
data_MgTi8(NiO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.544
_cell_length_b   11.276
_cell_length_c   11.306
_cell_angle_alpha   54.244
_cell_angle_beta   53.992
_cell_angle_gamma   54.966
_symmetry_Int_Tables_number   1
_cell_volume   434.451
_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  0.320  0.850  0.523  1.0
  Ti  Ti1  1  0.345  0.184  0.174  1.0
  Ti  Ti2  1  0.151  0.089  0.589  1.0
  Ti  Ti3  1  0.139  0.589  0.071  1.0
  Ti  Ti4  1  0.120  0.576  0.573  1.0
  Ti  Ti5  1  0.838  0.422  0.436  1.0
  Ti  Ti6  1  0.849  0.433  0.935  1.0
  Ti  Ti7  1  0.865  0.933  0.391  1.0
  Ti  Ti8  1  0.814  0.934  0.929  1.0
  Ni  Ni9  1  0.140  0.081  0.067  1.0
  Ni  Ni10  1  0.349  0.675  0.179  1.0
  Ni  Ni11  1  0.367  0.180  0.679  1.0
  Ni  Ni12  1  0.648  0.326  0.329  1.0
  Ni  Ni13  1  0.383  0.597  0.726  1.0
  Ni  Ni14  1  0.664  0.314  0.830  1.0
  Ni  Ni15  1  0.700  0.812  0.254  1.0
  Ni  Ni16  1  0.644  0.832  0.816  1.0
  O  O17  1  0.073  0.372  0.215  1.0
  O  O18  1  0.413  0.046  0.378  1.0
  O  O19  1  0.720  0.224  0.040  1.0
  O  O20  1  0.228  0.286  0.478  1.0
  O  O21  1  0.579  0.475  0.118  1.0
  O  O22  1  0.044  0.383  0.727  1.0
  O  O23  1  0.033  0.879  0.221  1.0
  O  O24  1  0.951  0.116  0.283  1.0
  O  O25  1  0.457  0.024  0.874  1.0
  O  O26  1  0.434  0.524  0.388  1.0
  O  O27  1  0.779  0.222  0.525  1.0
  O  O28  1  0.762  0.724  0.027  1.0
  O  O29  1  0.226  0.289  0.978  1.0
  O  O30  1  0.219  0.780  0.447  1.0
  O  O31  1  0.559  0.462  0.615  1.0
  O  O32  1  0.552  0.004  0.096  1.0
  O  O33  1  0.039  0.905  0.709  1.0
  O  O34  1  0.956  0.115  0.785  1.0
  O  O35  1  0.976  0.593  0.282  1.0
  O  O36  1  0.444  0.520  0.910  1.0
  O  O37  1  0.743  0.709  0.542  1.0
  O  O38  1  0.225  0.781  0.971  1.0
  O  O39  1  0.570  0.972  0.601  1.0
  O  O40  1  0.941  0.616  0.780  1.0
[/CIF]
.
The crystal structure described by MgTi8(NiO3)8 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(14), one O(17), one O(2), and one O(21) atom to form distorted MgO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, and  an edgeedge with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-76°. There are eight inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(13), one O(16), one O(2), one O(3), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra, corners with two equivalent Ti(7)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra,  an edgeedge with one Ni(4)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-57°. In the second Ti site, Ti(2) is bonded to one O(11), one O(17), one O(18), one O(2), one O(23), and one O(4) atom to form TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(8)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(7)O6 octahedra,  an edgeedge with one Ti(8)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-56°. In the third Ti site, Ti(3) is bonded to one O(1), one O(12), one O(19), one O(20), one O(22), and one O(5) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Ni(8)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one Ti(8)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-59°. In the fourth Ti site, Ti(4) is bonded to one O(10), one O(14), one O(15), one O(21), one O(24), and one O(6) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, and  an edgeedge with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-62°. In the fifth Ti site, Ti(5) is bonded to one O(1), one O(10), one O(11), one O(15), one O(19), and one O(4) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and  a faceface with one Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-56°. In the sixth Ti site, Ti(6) is bonded to one O(13), one O(20), one O(24), one O(3), one O(5), and one O(6) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. In the seventh Ti site, Ti(7) is bonded to one O(14), one O(2), one O(21), one O(23), one O(7), and one O(8) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 41-57°. In the eighth Ti site, Ti(8) is bonded to one O(12), one O(16), one O(17), one O(18), one O(22), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and  a faceface with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-60°. There are eight inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(13), one O(16), one O(3), one O(7), one O(8), and one O(9) atom to form distorted NiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one Ti(7)O6 octahedra,  an edgeedge with one Ti(8)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. In the second Ni site, Ni(2) is bonded to one O(10), one O(12), one O(19), one O(22), one O(5), and one O(7) atom to form distorted NiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ti(5)O6 octahedra, corners with two equivalent Ti(8)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and  a faceface with one Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-62°. In the third Ni site, Ni(3) is bonded in a 6-coordinate geometry to one O(11), one O(18), one O(23), one O(4), one O(6), and one O(9) atom. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(10), one O(11), one O(4), one O(5), and one O(8) atom to form NiO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, and  a faceface with one Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-57°. In the fifth Ni site, Ni(5) is bonded in a 4-coordinate geometry to one O(15), one O(20), one O(21), and one O(24) atom. In the sixth Ni site, Ni(6) is bonded in a 6-coordinate geometry to one O(13), one O(15), one O(18), one O(20), one O(3), and one O(6) atom. In the seventh Ni site, Ni(7) is bonded in a 4-coordinate geometry to one O(14), one O(16), one O(19), and one O(7) atom. In the eighth Ni site, Ni(8) is bonded to one O(12), one O(17), one O(22), one O(23), one O(24), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, and  a faceface with one Ti(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-60°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(3), one Ti(5), and one Ni(4) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(1), one Ti(2), and one Ti(7) atom. In the third O site, O(3) is bonded to one Ti(1), one Ti(6), one Ni(1), and one Ni(6) atom to form a mixture of distorted edge and corner-sharing OTi2Ni2 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Ti(2), one Ti(5), one Ni(3), and one Ni(4) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ti(3), one Ti(6), one Ni(2), and one Ni(4) atom. In the sixth O site, O(6) is bonded to one Ti(4), one Ti(6), one Ni(3), and one Ni(6) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(14)MgTi2Ni tetrahedra, corners with two equivalent O(13)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(24)Ti2Ni2 tetrahedra, and  an edgeedge with one O(3)Ti2Ni2 trigonal pyramid. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Ti(7), one Ni(1), one Ni(2), and one Ni(7) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Ti(1), one Ti(7), one Ni(1), and one Ni(4) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Ti(8), one Ni(1), one Ni(3), and one Ni(8) atom. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Ti(4), one Ti(5), one Ni(2), and one Ni(4) atom. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Ti(2), one Ti(5), one Ni(3), and one Ni(4) atom. In the twelfth O site, O(12) is bonded to one Ti(3), one Ti(8), one Ni(2), and one Ni(8) atom to form a mixture of distorted edge and corner-sharing OTi2Ni2 trigonal pyramids. In the thirteenth O site, O(13) is bonded to one Ti(1), one Ti(6), one Ni(1), and one Ni(6) atom to form a mixture of distorted edge and corner-sharing OTi2Ni2 trigonal pyramids. In the fourteenth O site, O(14) is bonded to one Mg(1), one Ti(4), one Ti(7), and one Ni(7) atom to form distorted corner-sharing OMgTi2Ni tetrahedra. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Ti(4), one Ti(5), one Ni(5), and one Ni(6) atom. In the sixteenth O site, O(16) is bonded in a distorted see-saw-like geometry to one Ti(1), one Ti(8), one Ni(1), and one Ni(7) atom. In the seventeenth O site, O(17) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Ti(2), one Ti(8), and one Ni(8) atom. In the eighteenth O site, O(18) is bonded in a distorted see-saw-like geometry to one Ti(2), one Ti(8), one Ni(3), and one Ni(6) atom. In the nineteenth O site, O(19) is bonded to one Ti(3), one Ti(5), one Ni(2), and one Ni(7) atom to form distorted OTi2Ni2 tetrahedra that share  a cornercorner with one O(14)MgTi2Ni tetrahedra, corners with two equivalent O(12)Ti2Ni2 trigonal pyramids, and  an edgeedge with one O(22)Ti2Ni2 trigonal pyramid. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Ti(3), one Ti(6), one Ni(5), and one Ni(6) atom. In the twenty-first O site, O(21) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ti(4), one Ti(7), and one Ni(5) atom. In the twenty-second O site, O(22) is bonded to one Ti(3), one Ti(8), one Ni(2), and one Ni(8) atom to form a mixture of distorted edge and corner-sharing OTi2Ni2 trigonal pyramids. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Ti(2), one Ti(7), one Ni(3), and one Ni(8) atom. In the twenty-fourth O site, O(24) is bonded to one Ti(4), one Ti(6), one Ni(5), and one Ni(8) atom to form distorted OTi2Ni2 tetrahedra that share  a cornercorner with one O(14)MgTi2Ni tetrahedra,  a cornercorner with one O(12)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(13)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(22)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(3)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(6)Ti2Ni2 trigonal pyramid. is represented by the CIF file [CIF]
data_MgTi8(NiO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.544
_cell_length_b   11.276
_cell_length_c   11.306
_cell_angle_alpha   54.244
_cell_angle_beta   53.992
_cell_angle_gamma   54.966
_symmetry_Int_Tables_number   1
_cell_volume   434.451
_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  0.320  0.850  0.523  1.0
  Ti  Ti1  1  0.345  0.184  0.174  1.0
  Ti  Ti2  1  0.151  0.089  0.589  1.0
  Ti  Ti3  1  0.139  0.589  0.071  1.0
  Ti  Ti4  1  0.120  0.576  0.573  1.0
  Ti  Ti5  1  0.838  0.422  0.436  1.0
  Ti  Ti6  1  0.849  0.433  0.935  1.0
  Ti  Ti7  1  0.865  0.933  0.391  1.0
  Ti  Ti8  1  0.814  0.934  0.929  1.0
  Ni  Ni9  1  0.140  0.081  0.067  1.0
  Ni  Ni10  1  0.349  0.675  0.179  1.0
  Ni  Ni11  1  0.367  0.180  0.679  1.0
  Ni  Ni12  1  0.648  0.326  0.329  1.0
  Ni  Ni13  1  0.383  0.597  0.726  1.0
  Ni  Ni14  1  0.664  0.314  0.830  1.0
  Ni  Ni15  1  0.700  0.812  0.254  1.0
  Ni  Ni16  1  0.644  0.832  0.816  1.0
  O  O17  1  0.073  0.372  0.215  1.0
  O  O18  1  0.413  0.046  0.378  1.0
  O  O19  1  0.720  0.224  0.040  1.0
  O  O20  1  0.228  0.286  0.478  1.0
  O  O21  1  0.579  0.475  0.118  1.0
  O  O22  1  0.044  0.383  0.727  1.0
  O  O23  1  0.033  0.879  0.221  1.0
  O  O24  1  0.951  0.116  0.283  1.0
  O  O25  1  0.457  0.024  0.874  1.0
  O  O26  1  0.434  0.524  0.388  1.0
  O  O27  1  0.779  0.222  0.525  1.0
  O  O28  1  0.762  0.724  0.027  1.0
  O  O29  1  0.226  0.289  0.978  1.0
  O  O30  1  0.219  0.780  0.447  1.0
  O  O31  1  0.559  0.462  0.615  1.0
  O  O32  1  0.552  0.004  0.096  1.0
  O  O33  1  0.039  0.905  0.709  1.0
  O  O34  1  0.956  0.115  0.785  1.0
  O  O35  1  0.976  0.593  0.282  1.0
  O  O36  1  0.444  0.520  0.910  1.0
  O  O37  1  0.743  0.709  0.542  1.0
  O  O38  1  0.225  0.781  0.971  1.0
  O  O39  1  0.570  0.972  0.601  1.0
  O  O40  1  0.941  0.616  0.780  1.0
[/CIF]
.