The compound described by MgTi8(NiO3)8 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(12), one O(19), one O(22), one O(5), and one O(7) 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 TiO6 octahedra that share  a cornercorner with one Ti(2)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,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)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 40-60°. 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(6)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, and  a faceface with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. In the third Ti site, Ti(3) 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(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra,  a cornercorner with one Ni(1)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(6)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and  a faceface with one Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-53°. 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(3)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(6)O6 octahedra, corners with two equivalent Ni(7)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one Ti(7)O6 octahedra, and  a faceface with one Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-60°. 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(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(6)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(4)O6 octahedra, and  a faceface with one Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. 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 TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(6)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(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  a faceface with one Ti(3)O6 octahedra, and  a faceface with one Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-58°. 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 41-60°. 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(3)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(6)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 Ni(1)O6 octahedra, and  a faceface with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. 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(3)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(6)O6 octahedra, corners with two equivalent Ni(7)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 35-60°. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(14), one O(16), one O(19), 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 distorted 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(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(6)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. 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,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)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 42-60°. 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(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra, corners with two equivalent Ti(7)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ni(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 35-60°. In the sixth Ni site, Ni(6) is bonded to one O(13), one O(15), one O(18), one O(20), one O(3), and one O(6) atom to form distorted NiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(6)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 Ti(3)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and  a faceface with one Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-61°. 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(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 45-59°. 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,  an edgeedge with one Ti(3)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 49-60°. 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), and one Ni(4) atom to form OTi3Ni trigonal pyramids that share  a cornercorner with one O(24)Ti3Ni2 trigonal bipyramid,  a cornercorner with one O(15)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(20)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(3)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(13)Ti3Ni2 trigonal bipyramid,  an edgeedge with one O(5)MgTi2Ni trigonal pyramid, and  an edgeedge with one O(8)Ti2Ni2 trigonal pyramid. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(2), one Ti(7), and one Ni(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 distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(7)MgTiNi3 trigonal bipyramid,  a cornercorner with one O(24)Ti3Ni2 trigonal bipyramid,  a cornercorner with one O(5)MgTi2Ni trigonal pyramid,  a cornercorner with one O(15)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(18)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(1)Ti3Ni trigonal pyramid, corners with two equivalent O(8)Ti2Ni2 trigonal pyramids, edges with two equivalent O(13)Ti3Ni2 trigonal bipyramids,  an edgeedge with one O(20)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(6)Ti2Ni2 trigonal pyramid. In the fourth O site, O(4) 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 fifth O site, O(5) is bonded to one Mg(1), one Ti(3), one Ti(6), and one Ni(4) atom to form OMgTi2Ni trigonal pyramids that share  a cornercorner with one O(7)MgTiNi3 trigonal bipyramid,  a cornercorner with one O(3)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(6)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(8)Ti2Ni2 trigonal pyramid, corners with two equivalent O(20)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(13)Ti3Ni2 trigonal bipyramid,  an edgeedge with one O(24)Ti3Ni2 trigonal bipyramid, and  an edgeedge with one O(1)Ti3Ni trigonal pyramid. 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 corners with two equivalent O(13)Ti3Ni2 trigonal bipyramids,  a cornercorner with one O(5)MgTi2Ni trigonal pyramid,  a cornercorner with one O(21)Ti2Ni2 trigonal pyramid, corners with two equivalent O(15)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(24)Ti3Ni2 trigonal bipyramid,  an edgeedge with one O(18)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(20)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(3)Ti2Ni2 trigonal pyramid. In the seventh O site, O(7) is bonded to one Mg(1), one Ti(7), one Ni(1), one Ni(2), and one Ni(7) atom to form OMgTiNi3 trigonal bipyramids that share  a cornercorner with one O(13)Ti3Ni2 trigonal bipyramid,  a cornercorner with one O(5)MgTi2Ni trigonal pyramid,  a cornercorner with one O(3)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(21)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(8)Ti2Ni2 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(5)MgTi2Ni trigonal pyramid,  a cornercorner with one O(21)Ti2Ni2 trigonal pyramid, corners with two equivalent O(3)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(7)MgTiNi3 trigonal bipyramid,  an edgeedge with one O(13)Ti3Ni2 trigonal bipyramid, and  an edgeedge with one O(1)Ti3Ni trigonal pyramid. 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 4-coordinate 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 in a 5-coordinate geometry to one Mg(1), one Ti(3), one Ti(8), one Ni(2), and one Ni(8) atom. In the thirteenth O site, O(13) is bonded to one Ti(1), one Ti(3), one Ti(6), one Ni(1), and one Ni(6) atom to form distorted OTi3Ni2 trigonal bipyramids that share  a cornercorner with one O(7)MgTiNi3 trigonal bipyramid,  a cornercorner with one O(15)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(18)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(20)Ti2Ni2 trigonal pyramid, corners with two equivalent O(6)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(24)Ti3Ni2 trigonal bipyramid,  an edgeedge with one O(5)MgTi2Ni trigonal pyramid,  an edgeedge with one O(20)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(8)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(1)Ti3Ni trigonal pyramid, and edges with two equivalent O(3)Ti2Ni2 trigonal pyramids. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Ti(4), one Ti(7), one Ni(2), one Ni(5), and one Ni(7) atom. In the fifteenth O site, O(15) is bonded to one Ti(4), one Ti(5), one Ni(5), and one Ni(6) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(13)Ti3Ni2 trigonal bipyramid,  a cornercorner with one O(17)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(18)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(3)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(1)Ti3Ni trigonal pyramid, corners with two equivalent O(21)Ti2Ni2 trigonal pyramids, corners with two equivalent O(6)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(24)Ti3Ni2 trigonal bipyramid, and  an edgeedge with one O(20)Ti2Ni2 trigonal pyramid. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Ti(1), one Ti(8), one Ni(1), one Ni(2), 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)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(20)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(21)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(24)Ti3Ni2 trigonal bipyramid, and  an edgeedge with one O(18)Ti2Ni2 trigonal pyramid. In the eighteenth O site, O(18) is bonded to one Ti(2), one Ti(8), one Ni(3), and one Ni(6) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(13)Ti3Ni2 trigonal bipyramid,  a cornercorner with one O(15)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(20)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(3)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(17)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(6)Ti2Ni2 trigonal pyramid. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ti(5), one Ni(2), and one Ni(7) atom. In the twentieth O site, O(20) is bonded to one Ti(3), one Ti(6), one Ni(5), and one Ni(6) atom to form OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(13)Ti3Ni2 trigonal bipyramid,  a cornercorner with one O(24)Ti3Ni2 trigonal bipyramid,  a cornercorner with one O(17)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(18)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(21)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(1)Ti3Ni trigonal pyramid, corners with two equivalent O(5)MgTi2Ni trigonal pyramids,  an edgeedge with one O(13)Ti3Ni2 trigonal bipyramid,  an edgeedge with one O(24)Ti3Ni2 trigonal bipyramid,  an edgeedge with one O(15)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(3)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(6)Ti2Ni2 trigonal pyramid. In the twenty-first O site, O(21) is bonded to one Ti(4), one Ti(7), one Ni(5), and one Ni(7) atom to form distorted OTi2Ni2 trigonal pyramids that share corners with two equivalent O(24)Ti3Ni2 trigonal bipyramids,  a cornercorner with one O(17)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(20)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(6)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(8)Ti2Ni2 trigonal pyramid, corners with two equivalent O(15)Ti2Ni2 trigonal pyramids, and  an edgeedge with one O(7)MgTiNi3 trigonal bipyramid. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ti(8), and one Ni(8) atom. In the twenty-third O site, O(23) is bonded in a distorted see-saw-like 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(3), one Ti(4), one Ti(6), one Ni(5), and one Ni(8) atom to form distorted OTi3Ni2 trigonal bipyramids that share  a cornercorner with one O(20)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(3)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(1)Ti3Ni trigonal pyramid, corners with two equivalent O(21)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(13)Ti3Ni2 trigonal bipyramid,  an edgeedge with one O(5)MgTi2Ni trigonal pyramid,  an edgeedge with one O(15)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(17)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(20)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(6)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   5.599
_cell_length_b   11.129
_cell_length_c   11.141
_cell_angle_alpha   55.080
_cell_angle_beta   54.309
_cell_angle_gamma   54.186
_symmetry_Int_Tables_number   1
_cell_volume   428.205
_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  0.277  0.677  0.146  1.0
  Ti  Ti1  1  0.363  0.162  0.172  1.0
  Ti  Ti2  1  0.135  0.072  0.576  1.0
  Ti  Ti3  1  0.010  0.512  0.013  1.0
  Ti  Ti4  1  0.140  0.560  0.584  1.0
  Ti  Ti5  1  0.855  0.426  0.424  1.0
  Ti  Ti6  1  0.800  0.419  0.932  1.0
  Ti  Ti7  1  0.879  0.924  0.420  1.0
  Ti  Ti8  1  0.847  0.925  0.920  1.0
  Ni  Ni9  1  0.144  0.069  0.070  1.0
  Ni  Ni10  1  0.510  0.730  0.241  1.0
  Ni  Ni11  1  0.352  0.170  0.674  1.0
  Ni  Ni12  1  0.642  0.317  0.334  1.0
  Ni  Ni13  1  0.357  0.674  0.670  1.0
  Ni  Ni14  1  0.647  0.319  0.816  1.0
  Ni  Ni15  1  0.660  0.823  0.338  1.0
  Ni  Ni16  1  0.633  0.838  0.812  1.0
  O  O17  1  0.063  0.367  0.215  1.0
  O  O18  1  0.438  0.036  0.369  1.0
  O  O19  1  0.724  0.220  0.034  1.0
  O  O20  1  0.221  0.283  0.469  1.0
  O  O21  1  0.606  0.468  0.116  1.0
  O  O22  1  0.047  0.377  0.723  1.0
  O  O23  1  0.066  0.863  0.228  1.0
  O  O24  1  0.957  0.112  0.282  1.0
  O  O25  1  0.457  0.029  0.868  1.0
  O  O26  1  0.425  0.511  0.400  1.0
  O  O27  1  0.773  0.214  0.524  1.0
  O  O28  1  0.745  0.720  0.017  1.0
  O  O29  1  0.215  0.293  0.979  1.0
  O  O30  1  0.234  0.781  0.475  1.0
  O  O31  1  0.558  0.471  0.614  1.0
  O  O32  1  0.570  0.978  0.113  1.0
  O  O33  1  0.058  0.885  0.707  1.0
  O  O34  1  0.946  0.115  0.771  1.0
  O  O35  1  0.902  0.618  0.295  1.0
  O  O36  1  0.427  0.522  0.878  1.0
  O  O37  1  0.772  0.716  0.535  1.0
  O  O38  1  0.222  0.805  0.944  1.0
  O  O39  1  0.563  0.977  0.601  1.0
  O  O40  1  0.948  0.605  0.794  1.0
[/CIF]
.
The compound described by MgTi8(NiO3)8 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(12), one O(19), one O(22), one O(5), and one O(7) 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 TiO6 octahedra that share  a cornercorner with one Ti(2)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,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(6)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 40-60°. 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(6)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, and  a faceface with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. In the third Ti site, Ti(3) 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(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(6)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra,  a cornercorner with one Ni(1)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(6)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and  a faceface with one Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-53°. 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(3)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(6)O6 octahedra, corners with two equivalent Ni(7)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one Ti(7)O6 octahedra, and  a faceface with one Ni(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-60°. 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(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(6)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(4)O6 octahedra, and  a faceface with one Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. 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 TiO6 octahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ni(3)O6 octahedra,  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(6)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(4)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra,  a faceface with one Ti(3)O6 octahedra, and  a faceface with one Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-58°. 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 41-60°. 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(3)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra,  a cornercorner with one Ni(6)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 Ni(1)O6 octahedra, and  a faceface with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. 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(3)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(6)O6 octahedra, corners with two equivalent Ni(7)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 35-60°. In the second Ni site, Ni(2) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(14), one O(16), one O(19), 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 distorted 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(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(6)O6 octahedra,  an edgeedge with one Ni(8)O6 octahedra, and  a faceface with one Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. 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,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)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 42-60°. 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(4)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(8)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra, corners with two equivalent Ti(7)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ni(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 35-60°. In the sixth Ni site, Ni(6) is bonded to one O(13), one O(15), one O(18), one O(20), one O(3), and one O(6) atom to form distorted NiO6 octahedra that share  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra,  a cornercorner with one Ti(6)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 Ti(3)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and  a faceface with one Ti(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-61°. 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(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 45-59°. 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,  an edgeedge with one Ti(3)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 49-60°. 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), and one Ni(4) atom to form OTi3Ni trigonal pyramids that share  a cornercorner with one O(24)Ti3Ni2 trigonal bipyramid,  a cornercorner with one O(15)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(20)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(3)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(13)Ti3Ni2 trigonal bipyramid,  an edgeedge with one O(5)MgTi2Ni trigonal pyramid, and  an edgeedge with one O(8)Ti2Ni2 trigonal pyramid. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ti(1), one Ti(2), one Ti(7), and one Ni(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 distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(7)MgTiNi3 trigonal bipyramid,  a cornercorner with one O(24)Ti3Ni2 trigonal bipyramid,  a cornercorner with one O(5)MgTi2Ni trigonal pyramid,  a cornercorner with one O(15)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(18)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(1)Ti3Ni trigonal pyramid, corners with two equivalent O(8)Ti2Ni2 trigonal pyramids, edges with two equivalent O(13)Ti3Ni2 trigonal bipyramids,  an edgeedge with one O(20)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(6)Ti2Ni2 trigonal pyramid. In the fourth O site, O(4) 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 fifth O site, O(5) is bonded to one Mg(1), one Ti(3), one Ti(6), and one Ni(4) atom to form OMgTi2Ni trigonal pyramids that share  a cornercorner with one O(7)MgTiNi3 trigonal bipyramid,  a cornercorner with one O(3)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(6)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(8)Ti2Ni2 trigonal pyramid, corners with two equivalent O(20)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(13)Ti3Ni2 trigonal bipyramid,  an edgeedge with one O(24)Ti3Ni2 trigonal bipyramid, and  an edgeedge with one O(1)Ti3Ni trigonal pyramid. 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 corners with two equivalent O(13)Ti3Ni2 trigonal bipyramids,  a cornercorner with one O(5)MgTi2Ni trigonal pyramid,  a cornercorner with one O(21)Ti2Ni2 trigonal pyramid, corners with two equivalent O(15)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(24)Ti3Ni2 trigonal bipyramid,  an edgeedge with one O(18)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(20)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(3)Ti2Ni2 trigonal pyramid. In the seventh O site, O(7) is bonded to one Mg(1), one Ti(7), one Ni(1), one Ni(2), and one Ni(7) atom to form OMgTiNi3 trigonal bipyramids that share  a cornercorner with one O(13)Ti3Ni2 trigonal bipyramid,  a cornercorner with one O(5)MgTi2Ni trigonal pyramid,  a cornercorner with one O(3)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(21)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(8)Ti2Ni2 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(5)MgTi2Ni trigonal pyramid,  a cornercorner with one O(21)Ti2Ni2 trigonal pyramid, corners with two equivalent O(3)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(7)MgTiNi3 trigonal bipyramid,  an edgeedge with one O(13)Ti3Ni2 trigonal bipyramid, and  an edgeedge with one O(1)Ti3Ni trigonal pyramid. 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 4-coordinate 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 in a 5-coordinate geometry to one Mg(1), one Ti(3), one Ti(8), one Ni(2), and one Ni(8) atom. In the thirteenth O site, O(13) is bonded to one Ti(1), one Ti(3), one Ti(6), one Ni(1), and one Ni(6) atom to form distorted OTi3Ni2 trigonal bipyramids that share  a cornercorner with one O(7)MgTiNi3 trigonal bipyramid,  a cornercorner with one O(15)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(18)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(20)Ti2Ni2 trigonal pyramid, corners with two equivalent O(6)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(24)Ti3Ni2 trigonal bipyramid,  an edgeedge with one O(5)MgTi2Ni trigonal pyramid,  an edgeedge with one O(20)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(8)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(1)Ti3Ni trigonal pyramid, and edges with two equivalent O(3)Ti2Ni2 trigonal pyramids. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Ti(4), one Ti(7), one Ni(2), one Ni(5), and one Ni(7) atom. In the fifteenth O site, O(15) is bonded to one Ti(4), one Ti(5), one Ni(5), and one Ni(6) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(13)Ti3Ni2 trigonal bipyramid,  a cornercorner with one O(17)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(18)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(3)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(1)Ti3Ni trigonal pyramid, corners with two equivalent O(21)Ti2Ni2 trigonal pyramids, corners with two equivalent O(6)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(24)Ti3Ni2 trigonal bipyramid, and  an edgeedge with one O(20)Ti2Ni2 trigonal pyramid. In the sixteenth O site, O(16) is bonded in a 5-coordinate geometry to one Ti(1), one Ti(8), one Ni(1), one Ni(2), 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)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(20)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(21)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(24)Ti3Ni2 trigonal bipyramid, and  an edgeedge with one O(18)Ti2Ni2 trigonal pyramid. In the eighteenth O site, O(18) is bonded to one Ti(2), one Ti(8), one Ni(3), and one Ni(6) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(13)Ti3Ni2 trigonal bipyramid,  a cornercorner with one O(15)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(20)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(3)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(17)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(6)Ti2Ni2 trigonal pyramid. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Ti(5), one Ni(2), and one Ni(7) atom. In the twentieth O site, O(20) is bonded to one Ti(3), one Ti(6), one Ni(5), and one Ni(6) atom to form OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(13)Ti3Ni2 trigonal bipyramid,  a cornercorner with one O(24)Ti3Ni2 trigonal bipyramid,  a cornercorner with one O(17)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(18)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(21)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(1)Ti3Ni trigonal pyramid, corners with two equivalent O(5)MgTi2Ni trigonal pyramids,  an edgeedge with one O(13)Ti3Ni2 trigonal bipyramid,  an edgeedge with one O(24)Ti3Ni2 trigonal bipyramid,  an edgeedge with one O(15)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(3)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(6)Ti2Ni2 trigonal pyramid. In the twenty-first O site, O(21) is bonded to one Ti(4), one Ti(7), one Ni(5), and one Ni(7) atom to form distorted OTi2Ni2 trigonal pyramids that share corners with two equivalent O(24)Ti3Ni2 trigonal bipyramids,  a cornercorner with one O(17)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(20)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(6)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(8)Ti2Ni2 trigonal pyramid, corners with two equivalent O(15)Ti2Ni2 trigonal pyramids, and  an edgeedge with one O(7)MgTiNi3 trigonal bipyramid. In the twenty-second O site, O(22) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ti(8), and one Ni(8) atom. In the twenty-third O site, O(23) is bonded in a distorted see-saw-like 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(3), one Ti(4), one Ti(6), one Ni(5), and one Ni(8) atom to form distorted OTi3Ni2 trigonal bipyramids that share  a cornercorner with one O(20)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(3)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(1)Ti3Ni trigonal pyramid, corners with two equivalent O(21)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(13)Ti3Ni2 trigonal bipyramid,  an edgeedge with one O(5)MgTi2Ni trigonal pyramid,  an edgeedge with one O(15)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(17)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(20)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(6)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   5.599
_cell_length_b   11.129
_cell_length_c   11.141
_cell_angle_alpha   55.080
_cell_angle_beta   54.309
_cell_angle_gamma   54.186
_symmetry_Int_Tables_number   1
_cell_volume   428.205
_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  0.277  0.677  0.146  1.0
  Ti  Ti1  1  0.363  0.162  0.172  1.0
  Ti  Ti2  1  0.135  0.072  0.576  1.0
  Ti  Ti3  1  0.010  0.512  0.013  1.0
  Ti  Ti4  1  0.140  0.560  0.584  1.0
  Ti  Ti5  1  0.855  0.426  0.424  1.0
  Ti  Ti6  1  0.800  0.419  0.932  1.0
  Ti  Ti7  1  0.879  0.924  0.420  1.0
  Ti  Ti8  1  0.847  0.925  0.920  1.0
  Ni  Ni9  1  0.144  0.069  0.070  1.0
  Ni  Ni10  1  0.510  0.730  0.241  1.0
  Ni  Ni11  1  0.352  0.170  0.674  1.0
  Ni  Ni12  1  0.642  0.317  0.334  1.0
  Ni  Ni13  1  0.357  0.674  0.670  1.0
  Ni  Ni14  1  0.647  0.319  0.816  1.0
  Ni  Ni15  1  0.660  0.823  0.338  1.0
  Ni  Ni16  1  0.633  0.838  0.812  1.0
  O  O17  1  0.063  0.367  0.215  1.0
  O  O18  1  0.438  0.036  0.369  1.0
  O  O19  1  0.724  0.220  0.034  1.0
  O  O20  1  0.221  0.283  0.469  1.0
  O  O21  1  0.606  0.468  0.116  1.0
  O  O22  1  0.047  0.377  0.723  1.0
  O  O23  1  0.066  0.863  0.228  1.0
  O  O24  1  0.957  0.112  0.282  1.0
  O  O25  1  0.457  0.029  0.868  1.0
  O  O26  1  0.425  0.511  0.400  1.0
  O  O27  1  0.773  0.214  0.524  1.0
  O  O28  1  0.745  0.720  0.017  1.0
  O  O29  1  0.215  0.293  0.979  1.0
  O  O30  1  0.234  0.781  0.475  1.0
  O  O31  1  0.558  0.471  0.614  1.0
  O  O32  1  0.570  0.978  0.113  1.0
  O  O33  1  0.058  0.885  0.707  1.0
  O  O34  1  0.946  0.115  0.771  1.0
  O  O35  1  0.902  0.618  0.295  1.0
  O  O36  1  0.427  0.522  0.878  1.0
  O  O37  1  0.772  0.716  0.535  1.0
  O  O38  1  0.222  0.805  0.944  1.0
  O  O39  1  0.563  0.977  0.601  1.0
  O  O40  1  0.948  0.605  0.794  1.0
[/CIF]
.