The structure described by MgTi8(NiO3)8 crystallizes in the triclinic P1 space group. Mg(1) 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. 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,  a cornercorner with one Ni(6)O6 octahedra, corners with two equivalent Ti(7)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. 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 distorted TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(7)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,  an edgeedge with one Ni(6)O6 octahedra, and  a faceface with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-61°. 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 TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(7)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(8)O6 octahedra, and  a faceface with one Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-56°. 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 Ti(6)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Ni(7)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(7)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, and  a faceface with one Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. 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 Ti(6)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra, corners with two equivalent Ni(3)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,  an edgeedge with one Ni(6)O6 octahedra, and  a faceface with one Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-60°. In the sixth Ti site, Ti(6) is bonded to one O(1), one O(12), one O(13), one O(20), one O(24), and one O(5) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)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,  a cornercorner with one Ni(6)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)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 35-62°. 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(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra,  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  a faceface with one Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-60°. 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 Ti(6)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, and  a faceface with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-59°. 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 Ti(6)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Ni(7)O6 octahedra,  an edgeedge with one Ti(7)O6 octahedra,  an edgeedge with one Ti(8)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(19), one O(22), one O(5), and one O(7) atom. In the third Ni site, Ni(3) is bonded to one O(11), one O(18), one O(23), one O(4), one O(6), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(6)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,  a faceface with one Ti(2)O6 octahedra, and  a faceface with one Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-60°. 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(7)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(6)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 Ti(6)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and  a faceface with one Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-57°. In the fifth Ni site, Ni(5) is bonded to one O(14), one O(15), one O(17), one O(20), one O(21), and one O(24) atom to form NiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra, corners with two equivalent Ti(7)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and  a faceface with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. In the sixth Ni site, Ni(6) is bonded to one O(11), one O(13), one O(15), one O(18), one O(6), and one O(9) atom to form distorted NiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(8)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and  a faceface with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-62°. In the seventh Ni site, Ni(7) is bonded to one O(14), one O(16), one O(19), one O(2), one O(21), and one O(7) atom to form NiO6 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(7)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and  a faceface with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-60°. 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(7)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and  a faceface with one Ti(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Ti(1), one Ti(3), one Ti(5), one Ti(6), and one Ni(4) atom to form distorted OTi4Ni trigonal bipyramids that share  a cornercorner with one O(15)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(24)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(5)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(2)Ti3Ni trigonal pyramid, corners with two equivalent O(4)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(12)Ti3Ni2 trigonal bipyramid,  an edgeedge with one O(20)MgTi2Ni trigonal pyramid,  an edgeedge with one O(10)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(5)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(8)Ti2Ni2 trigonal pyramid. In the second O site, O(2) is bonded to one Ti(1), one Ti(2), one Ti(7), and one Ni(7) atom to form distorted OTi3Ni trigonal pyramids that share  a cornercorner with one O(18)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(1)Ti4Ni trigonal bipyramid,  a cornercorner with one O(17)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(4)Ti2Ni2 trigonal pyramid, corners with two equivalent O(8)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(23)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(7)TiNi3 trigonal pyramid. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1), one Ti(1), and one Ni(1) atom. In the fourth O site, O(4) is bonded to one Ti(2), one Ti(5), one Ni(3), and one Ni(4) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(15)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(9)TiNi4 trigonal bipyramid, corners with two equivalent O(1)Ti4Ni trigonal bipyramids,  a cornercorner with one O(17)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(5)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(8)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(2)Ti3Ni trigonal pyramid, corners with two equivalent O(10)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(18)MgTi2Ni2 trigonal bipyramid, and  an edgeedge with one O(23)Ti2Ni2 trigonal pyramid. In the fifth O site, O(5) is bonded to one Ti(3), one Ti(6), one Ni(2), and one Ni(4) atom to form OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(12)Ti3Ni2 trigonal bipyramid,  a cornercorner with one O(1)Ti4Ni trigonal bipyramid,  a cornercorner with one O(24)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(4)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(8)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(7)TiNi3 trigonal pyramid, corners with two equivalent O(20)MgTi2Ni trigonal pyramids,  an edgeedge with one O(12)Ti3Ni2 trigonal bipyramid,  an edgeedge with one O(1)Ti4Ni trigonal bipyramid, and  an edgeedge with one O(10)Ti2Ni2 trigonal pyramid. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(4), one Ni(3), and one Ni(6) atom. In the seventh O site, O(7) is bonded to one Ti(7), one Ni(1), one Ni(2), and one Ni(7) atom to form distorted OTiNi3 trigonal pyramids that share  a cornercorner with one O(12)Ti3Ni2 trigonal bipyramid,  a cornercorner with one O(9)TiNi4 trigonal bipyramid,  a cornercorner with one O(10)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(23)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(5)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(8)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(2)Ti3Ni trigonal pyramid. In the eighth O site, O(8) is bonded to one Ti(1), one Ti(7), one Ni(1), and one Ni(4) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(9)TiNi4 trigonal bipyramid,  a cornercorner with one O(10)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(23)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(4)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(5)Ti2Ni2 trigonal pyramid, corners with two equivalent O(2)Ti3Ni trigonal pyramids,  an edgeedge with one O(1)Ti4Ni trigonal bipyramid, and  an edgeedge with one O(7)TiNi3 trigonal pyramid. In the ninth O site, O(9) is bonded to one Ti(8), one Ni(1), one Ni(3), one Ni(6), and one Ni(8) atom to form distorted OTiNi4 trigonal bipyramids that share  a cornercorner with one O(15)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(18)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(24)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(4)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(8)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(7)TiNi3 trigonal pyramid,  an edgeedge with one O(18)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(12)Ti3Ni2 trigonal bipyramid,  an edgeedge with one O(17)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(23)Ti2Ni2 trigonal pyramid. In the tenth O site, O(10) is bonded to one Ti(4), one Ti(5), one Ni(2), and one Ni(4) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(12)Ti3Ni2 trigonal bipyramid,  a cornercorner with one O(24)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(8)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(7)TiNi3 trigonal pyramid, corners with two equivalent O(4)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(15)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(1)Ti4Ni trigonal bipyramid, and  an edgeedge with one O(5)Ti2Ni2 trigonal pyramid. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Ti(2), one Ti(5), one Ni(3), one Ni(4), and one Ni(6) atom. In the twelfth O site, O(12) is bonded to one Ti(3), one Ti(6), one Ti(8), one Ni(2), and one Ni(8) atom to form distorted OTi3Ni2 trigonal bipyramids that share  a cornercorner with one O(18)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(10)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(23)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(5)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(7)TiNi3 trigonal pyramid,  an edgeedge with one O(1)Ti4Ni trigonal bipyramid,  an edgeedge with one O(9)TiNi4 trigonal bipyramid,  an edgeedge with one O(20)MgTi2Ni trigonal pyramid,  an edgeedge with one O(17)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(24)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(5)Ti2Ni2 trigonal pyramid. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one Ti(6), one Ni(1), and one Ni(6) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Ti(4), one Ti(7), one Ni(5), and one Ni(7) atom. In the fifteenth O site, O(15) is bonded to one Mg(1), one Ti(4), one Ti(5), one Ni(5), and one Ni(6) atom to form distorted OMgTi2Ni2 trigonal bipyramids that share  a cornercorner with one O(1)Ti4Ni trigonal bipyramid,  a cornercorner with one O(9)TiNi4 trigonal bipyramid,  a cornercorner with one O(17)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(4)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(18)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(20)MgTi2Ni trigonal pyramid,  an edgeedge with one O(10)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(24)Ti2Ni2 trigonal pyramid. In the sixteenth O site, O(16) is bonded in a rectangular 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 to one Ti(2), one Ti(8), one Ni(5), and one Ni(8) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(15)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(20)MgTi2Ni trigonal pyramid,  a cornercorner with one O(4)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(2)Ti3Ni trigonal pyramid, corners with two equivalent O(23)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(18)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(12)Ti3Ni2 trigonal bipyramid,  an edgeedge with one O(9)TiNi4 trigonal bipyramid, and  an edgeedge with one O(24)Ti2Ni2 trigonal pyramid. In the eighteenth O site, O(18) is bonded to one Mg(1), one Ti(2), one Ti(8), one Ni(3), and one Ni(6) atom to form distorted OMgTi2Ni2 trigonal bipyramids that share  a cornercorner with one O(12)Ti3Ni2 trigonal bipyramid,  a cornercorner with one O(9)TiNi4 trigonal bipyramid,  a cornercorner with one O(20)MgTi2Ni trigonal pyramid,  a cornercorner with one O(2)Ti3Ni trigonal pyramid,  an edgeedge with one O(15)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(9)TiNi4 trigonal bipyramid,  an edgeedge with one O(17)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(23)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(4)Ti2Ni2 trigonal pyramid. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Ti(3), one Ti(5), one Ni(2), and one Ni(7) atom. In the twentieth O site, O(20) is bonded to one Mg(1), one Ti(3), one Ti(6), and one Ni(5) atom to form OMgTi2Ni trigonal pyramids that share  a cornercorner with one O(18)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(17)Ti2Ni2 trigonal pyramid, corners with two equivalent O(5)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(15)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(12)Ti3Ni2 trigonal bipyramid,  an edgeedge with one O(1)Ti4Ni trigonal bipyramid, and  an edgeedge with one O(24)Ti2Ni2 trigonal pyramid. In the twenty-first O site, O(21) is bonded in a distorted rectangular see-saw-like geometry to one Ti(4), one Ti(7), one Ni(5), and one Ni(7) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Ti(3), one Ti(8), one Ni(2), and one Ni(8) atom. In the twenty-third O site, O(23) is bonded to one Ti(2), one Ti(7), one Ni(3), and one Ni(8) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(12)Ti3Ni2 trigonal bipyramid,  a cornercorner with one O(24)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(8)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(7)TiNi3 trigonal pyramid, corners with two equivalent O(17)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(18)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(9)TiNi4 trigonal bipyramid,  an edgeedge with one O(4)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(2)Ti3Ni trigonal pyramid. 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 OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(1)Ti4Ni trigonal bipyramid,  a cornercorner with one O(9)TiNi4 trigonal bipyramid,  a cornercorner with one O(10)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(23)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(5)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(15)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(12)Ti3Ni2 trigonal bipyramid,  an edgeedge with one O(20)MgTi2Ni trigonal pyramid, and  an edgeedge with one O(17)Ti2Ni2 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi8(NiO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.632
_cell_length_b   11.167
_cell_length_c   11.160
_cell_angle_alpha   54.433
_cell_angle_beta   54.246
_cell_angle_gamma   53.887
_symmetry_Int_Tables_number   1
_cell_volume   429.005
_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  0.710  0.336  0.837  1.0
  Ti  Ti1  1  0.366  0.172  0.175  1.0
  Ti  Ti2  1  0.147  0.065  0.575  1.0
  Ti  Ti3  1  0.192  0.589  0.068  1.0
  Ti  Ti4  1  0.129  0.571  0.584  1.0
  Ti  Ti5  1  0.846  0.430  0.431  1.0
  Ti  Ti6  1  0.978  0.493  0.985  1.0
  Ti  Ti7  1  0.885  0.928  0.414  1.0
  Ti  Ti8  1  0.824  0.926  0.936  1.0
  Ni  Ni9  1  0.136  0.077  0.079  1.0
  Ni  Ni10  1  0.353  0.680  0.188  1.0
  Ni  Ni11  1  0.351  0.165  0.663  1.0
  Ni  Ni12  1  0.639  0.324  0.335  1.0
  Ni  Ni13  1  0.348  0.682  0.668  1.0
  Ni  Ni14  1  0.499  0.257  0.758  1.0
  Ni  Ni15  1  0.660  0.821  0.328  1.0
  Ni  Ni16  1  0.638  0.837  0.818  1.0
  O  O17  1  0.068  0.381  0.204  1.0
  O  O18  1  0.433  0.030  0.377  1.0
  O  O19  1  0.722  0.205  0.054  1.0
  O  O20  1  0.227  0.280  0.468  1.0
  O  O21  1  0.568  0.484  0.123  1.0
  O  O22  1  0.102  0.375  0.704  1.0
  O  O23  1  0.040  0.874  0.236  1.0
  O  O24  1  0.945  0.118  0.288  1.0
  O  O25  1  0.449  0.032  0.873  1.0
  O  O26  1  0.446  0.524  0.392  1.0
  O  O27  1  0.780  0.215  0.521  1.0
  O  O28  1  0.775  0.715  0.024  1.0
  O  O29  1  0.245  0.287  0.981  1.0
  O  O30  1  0.238  0.782  0.471  1.0
  O  O31  1  0.580  0.472  0.619  1.0
  O  O32  1  0.560  0.974  0.120  1.0
  O  O33  1  0.050  0.887  0.714  1.0
  O  O34  1  0.938  0.116  0.781  1.0
  O  O35  1  0.946  0.613  0.283  1.0
  O  O36  1  0.379  0.535  0.889  1.0
  O  O37  1  0.773  0.711  0.535  1.0
  O  O38  1  0.232  0.789  0.965  1.0
  O  O39  1  0.556  0.970  0.609  1.0
  O  O40  1  0.951  0.621  0.781  1.0
[/CIF]
.
The structure described by MgTi8(NiO3)8 crystallizes in the triclinic P1 space group. Mg(1) 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. 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,  a cornercorner with one Ni(6)O6 octahedra, corners with two equivalent Ti(7)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. 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 distorted TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(7)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,  an edgeedge with one Ni(6)O6 octahedra, and  a faceface with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-61°. 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 TiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(7)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(8)O6 octahedra, and  a faceface with one Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-56°. 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 Ti(6)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Ni(7)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(7)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, and  a faceface with one Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. 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 Ti(6)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra, corners with two equivalent Ni(3)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,  an edgeedge with one Ni(6)O6 octahedra, and  a faceface with one Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-60°. In the sixth Ti site, Ti(6) is bonded to one O(1), one O(12), one O(13), one O(20), one O(24), and one O(5) atom to form distorted TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)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,  a cornercorner with one Ni(6)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)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 35-62°. 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(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra,  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  a faceface with one Ni(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-60°. 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 Ti(6)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(7)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, and  a faceface with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-59°. 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 Ti(6)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra, corners with two equivalent Ni(7)O6 octahedra,  an edgeedge with one Ti(7)O6 octahedra,  an edgeedge with one Ti(8)O6 octahedra,  an edgeedge with one Ni(6)O6 octahedra, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(19), one O(22), one O(5), and one O(7) atom. In the third Ni site, Ni(3) is bonded to one O(11), one O(18), one O(23), one O(4), one O(6), and one O(9) atom to form NiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(7)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(6)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,  a faceface with one Ti(2)O6 octahedra, and  a faceface with one Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-60°. 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(7)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(6)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 Ti(6)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, and  a faceface with one Ti(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-57°. In the fifth Ni site, Ni(5) is bonded to one O(14), one O(15), one O(17), one O(20), one O(21), and one O(24) atom to form NiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra, corners with two equivalent Ti(7)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one Ni(7)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and  a faceface with one Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. In the sixth Ni site, Ni(6) is bonded to one O(11), one O(13), one O(15), one O(18), one O(6), and one O(9) atom to form distorted NiO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(8)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(8)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and  a faceface with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-62°. In the seventh Ni site, Ni(7) is bonded to one O(14), one O(16), one O(19), one O(2), one O(21), and one O(7) atom to form NiO6 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(7)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra, corners with two equivalent Ti(4)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and  a faceface with one Ti(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-60°. 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(7)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(6)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and  a faceface with one Ti(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-59°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Ti(1), one Ti(3), one Ti(5), one Ti(6), and one Ni(4) atom to form distorted OTi4Ni trigonal bipyramids that share  a cornercorner with one O(15)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(24)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(5)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(2)Ti3Ni trigonal pyramid, corners with two equivalent O(4)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(12)Ti3Ni2 trigonal bipyramid,  an edgeedge with one O(20)MgTi2Ni trigonal pyramid,  an edgeedge with one O(10)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(5)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(8)Ti2Ni2 trigonal pyramid. In the second O site, O(2) is bonded to one Ti(1), one Ti(2), one Ti(7), and one Ni(7) atom to form distorted OTi3Ni trigonal pyramids that share  a cornercorner with one O(18)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(1)Ti4Ni trigonal bipyramid,  a cornercorner with one O(17)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(4)Ti2Ni2 trigonal pyramid, corners with two equivalent O(8)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(23)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(7)TiNi3 trigonal pyramid. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1), one Ti(1), and one Ni(1) atom. In the fourth O site, O(4) is bonded to one Ti(2), one Ti(5), one Ni(3), and one Ni(4) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(15)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(9)TiNi4 trigonal bipyramid, corners with two equivalent O(1)Ti4Ni trigonal bipyramids,  a cornercorner with one O(17)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(5)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(8)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(2)Ti3Ni trigonal pyramid, corners with two equivalent O(10)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(18)MgTi2Ni2 trigonal bipyramid, and  an edgeedge with one O(23)Ti2Ni2 trigonal pyramid. In the fifth O site, O(5) is bonded to one Ti(3), one Ti(6), one Ni(2), and one Ni(4) atom to form OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(12)Ti3Ni2 trigonal bipyramid,  a cornercorner with one O(1)Ti4Ni trigonal bipyramid,  a cornercorner with one O(24)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(4)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(8)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(7)TiNi3 trigonal pyramid, corners with two equivalent O(20)MgTi2Ni trigonal pyramids,  an edgeedge with one O(12)Ti3Ni2 trigonal bipyramid,  an edgeedge with one O(1)Ti4Ni trigonal bipyramid, and  an edgeedge with one O(10)Ti2Ni2 trigonal pyramid. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Mg(1), one Ti(4), one Ni(3), and one Ni(6) atom. In the seventh O site, O(7) is bonded to one Ti(7), one Ni(1), one Ni(2), and one Ni(7) atom to form distorted OTiNi3 trigonal pyramids that share  a cornercorner with one O(12)Ti3Ni2 trigonal bipyramid,  a cornercorner with one O(9)TiNi4 trigonal bipyramid,  a cornercorner with one O(10)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(23)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(5)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(8)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(2)Ti3Ni trigonal pyramid. In the eighth O site, O(8) is bonded to one Ti(1), one Ti(7), one Ni(1), and one Ni(4) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(9)TiNi4 trigonal bipyramid,  a cornercorner with one O(10)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(23)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(4)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(5)Ti2Ni2 trigonal pyramid, corners with two equivalent O(2)Ti3Ni trigonal pyramids,  an edgeedge with one O(1)Ti4Ni trigonal bipyramid, and  an edgeedge with one O(7)TiNi3 trigonal pyramid. In the ninth O site, O(9) is bonded to one Ti(8), one Ni(1), one Ni(3), one Ni(6), and one Ni(8) atom to form distorted OTiNi4 trigonal bipyramids that share  a cornercorner with one O(15)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(18)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(24)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(4)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(8)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(7)TiNi3 trigonal pyramid,  an edgeedge with one O(18)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(12)Ti3Ni2 trigonal bipyramid,  an edgeedge with one O(17)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(23)Ti2Ni2 trigonal pyramid. In the tenth O site, O(10) is bonded to one Ti(4), one Ti(5), one Ni(2), and one Ni(4) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(12)Ti3Ni2 trigonal bipyramid,  a cornercorner with one O(24)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(8)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(7)TiNi3 trigonal pyramid, corners with two equivalent O(4)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(15)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(1)Ti4Ni trigonal bipyramid, and  an edgeedge with one O(5)Ti2Ni2 trigonal pyramid. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to one Ti(2), one Ti(5), one Ni(3), one Ni(4), and one Ni(6) atom. In the twelfth O site, O(12) is bonded to one Ti(3), one Ti(6), one Ti(8), one Ni(2), and one Ni(8) atom to form distorted OTi3Ni2 trigonal bipyramids that share  a cornercorner with one O(18)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(10)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(23)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(5)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(7)TiNi3 trigonal pyramid,  an edgeedge with one O(1)Ti4Ni trigonal bipyramid,  an edgeedge with one O(9)TiNi4 trigonal bipyramid,  an edgeedge with one O(20)MgTi2Ni trigonal pyramid,  an edgeedge with one O(17)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(24)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(5)Ti2Ni2 trigonal pyramid. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(1), one Ti(6), one Ni(1), and one Ni(6) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Ti(4), one Ti(7), one Ni(5), and one Ni(7) atom. In the fifteenth O site, O(15) is bonded to one Mg(1), one Ti(4), one Ti(5), one Ni(5), and one Ni(6) atom to form distorted OMgTi2Ni2 trigonal bipyramids that share  a cornercorner with one O(1)Ti4Ni trigonal bipyramid,  a cornercorner with one O(9)TiNi4 trigonal bipyramid,  a cornercorner with one O(17)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(4)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(18)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(20)MgTi2Ni trigonal pyramid,  an edgeedge with one O(10)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(24)Ti2Ni2 trigonal pyramid. In the sixteenth O site, O(16) is bonded in a rectangular 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 to one Ti(2), one Ti(8), one Ni(5), and one Ni(8) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(15)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(20)MgTi2Ni trigonal pyramid,  a cornercorner with one O(4)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(2)Ti3Ni trigonal pyramid, corners with two equivalent O(23)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(18)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(12)Ti3Ni2 trigonal bipyramid,  an edgeedge with one O(9)TiNi4 trigonal bipyramid, and  an edgeedge with one O(24)Ti2Ni2 trigonal pyramid. In the eighteenth O site, O(18) is bonded to one Mg(1), one Ti(2), one Ti(8), one Ni(3), and one Ni(6) atom to form distorted OMgTi2Ni2 trigonal bipyramids that share  a cornercorner with one O(12)Ti3Ni2 trigonal bipyramid,  a cornercorner with one O(9)TiNi4 trigonal bipyramid,  a cornercorner with one O(20)MgTi2Ni trigonal pyramid,  a cornercorner with one O(2)Ti3Ni trigonal pyramid,  an edgeedge with one O(15)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(9)TiNi4 trigonal bipyramid,  an edgeedge with one O(17)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(23)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(4)Ti2Ni2 trigonal pyramid. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Ti(3), one Ti(5), one Ni(2), and one Ni(7) atom. In the twentieth O site, O(20) is bonded to one Mg(1), one Ti(3), one Ti(6), and one Ni(5) atom to form OMgTi2Ni trigonal pyramids that share  a cornercorner with one O(18)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(17)Ti2Ni2 trigonal pyramid, corners with two equivalent O(5)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(15)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(12)Ti3Ni2 trigonal bipyramid,  an edgeedge with one O(1)Ti4Ni trigonal bipyramid, and  an edgeedge with one O(24)Ti2Ni2 trigonal pyramid. In the twenty-first O site, O(21) is bonded in a distorted rectangular see-saw-like geometry to one Ti(4), one Ti(7), one Ni(5), and one Ni(7) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Ti(3), one Ti(8), one Ni(2), and one Ni(8) atom. In the twenty-third O site, O(23) is bonded to one Ti(2), one Ti(7), one Ni(3), and one Ni(8) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(12)Ti3Ni2 trigonal bipyramid,  a cornercorner with one O(24)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(8)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(7)TiNi3 trigonal pyramid, corners with two equivalent O(17)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(18)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(9)TiNi4 trigonal bipyramid,  an edgeedge with one O(4)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(2)Ti3Ni trigonal pyramid. 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 OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(1)Ti4Ni trigonal bipyramid,  a cornercorner with one O(9)TiNi4 trigonal bipyramid,  a cornercorner with one O(10)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(23)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(5)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(15)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(12)Ti3Ni2 trigonal bipyramid,  an edgeedge with one O(20)MgTi2Ni trigonal pyramid, and  an edgeedge with one O(17)Ti2Ni2 trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgTi8(NiO3)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.632
_cell_length_b   11.167
_cell_length_c   11.160
_cell_angle_alpha   54.433
_cell_angle_beta   54.246
_cell_angle_gamma   53.887
_symmetry_Int_Tables_number   1
_cell_volume   429.005
_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  0.710  0.336  0.837  1.0
  Ti  Ti1  1  0.366  0.172  0.175  1.0
  Ti  Ti2  1  0.147  0.065  0.575  1.0
  Ti  Ti3  1  0.192  0.589  0.068  1.0
  Ti  Ti4  1  0.129  0.571  0.584  1.0
  Ti  Ti5  1  0.846  0.430  0.431  1.0
  Ti  Ti6  1  0.978  0.493  0.985  1.0
  Ti  Ti7  1  0.885  0.928  0.414  1.0
  Ti  Ti8  1  0.824  0.926  0.936  1.0
  Ni  Ni9  1  0.136  0.077  0.079  1.0
  Ni  Ni10  1  0.353  0.680  0.188  1.0
  Ni  Ni11  1  0.351  0.165  0.663  1.0
  Ni  Ni12  1  0.639  0.324  0.335  1.0
  Ni  Ni13  1  0.348  0.682  0.668  1.0
  Ni  Ni14  1  0.499  0.257  0.758  1.0
  Ni  Ni15  1  0.660  0.821  0.328  1.0
  Ni  Ni16  1  0.638  0.837  0.818  1.0
  O  O17  1  0.068  0.381  0.204  1.0
  O  O18  1  0.433  0.030  0.377  1.0
  O  O19  1  0.722  0.205  0.054  1.0
  O  O20  1  0.227  0.280  0.468  1.0
  O  O21  1  0.568  0.484  0.123  1.0
  O  O22  1  0.102  0.375  0.704  1.0
  O  O23  1  0.040  0.874  0.236  1.0
  O  O24  1  0.945  0.118  0.288  1.0
  O  O25  1  0.449  0.032  0.873  1.0
  O  O26  1  0.446  0.524  0.392  1.0
  O  O27  1  0.780  0.215  0.521  1.0
  O  O28  1  0.775  0.715  0.024  1.0
  O  O29  1  0.245  0.287  0.981  1.0
  O  O30  1  0.238  0.782  0.471  1.0
  O  O31  1  0.580  0.472  0.619  1.0
  O  O32  1  0.560  0.974  0.120  1.0
  O  O33  1  0.050  0.887  0.714  1.0
  O  O34  1  0.938  0.116  0.781  1.0
  O  O35  1  0.946  0.613  0.283  1.0
  O  O36  1  0.379  0.535  0.889  1.0
  O  O37  1  0.773  0.711  0.535  1.0
  O  O38  1  0.232  0.789  0.965  1.0
  O  O39  1  0.556  0.970  0.609  1.0
  O  O40  1  0.951  0.621  0.781  1.0
[/CIF]
.