The structure described by MgTi8(NiO3)8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(17), one O(20), one O(21), one O(22), one O(23), and one O(24) atom to form MgO6 octahedra that share  a cornercorner with one Ni(2)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,  a cornercorner with one Ni(8)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one Ti(7)O6 octahedra,  a faceface with one Ni(5)O6 octahedra, and  a faceface with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. 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(3)O6 octahedra,  a cornercorner with one Ti(5)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 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 43-61°. 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 Mg(1)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(7)O6 octahedra, and  a faceface with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-59°. 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,  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 Mg(1)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(15), one O(21), one O(24), and one O(6) atom. 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,  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(2)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, and  a faceface with one Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. 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 distorted TiO6 octahedra that share  a cornercorner with one Ni(2)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 Mg(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and  a faceface with one Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. 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(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 Mg(1)O6 octahedra,  an edgeedge with one Ti(2)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 41-62°. In the eighth Ti site, Ti(8) is bonded in a 6-coordinate geometry to one O(12), one O(16), one O(17), one O(18), one O(22), and one O(9) atom. 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(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, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-63°. 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 NiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Ti(3)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,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(7)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 41-63°. 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 Mg(1)O6 octahedra,  a cornercorner with one Ti(2)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,  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 43-62°. 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(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,  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 45-61°. 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 Mg(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra, corners with two equivalent Ti(7)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 Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-55°. 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 NiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  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(6)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Ti(1)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 47-60°. 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 Mg(1)O6 octahedra,  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, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ni(2)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 46-62°. 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 distorted NiO6 octahedra that share  a cornercorner with one Mg(1)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 Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. 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 distorted OTi3Ni trigonal pyramids that share  a cornercorner with one O(20)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(22)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(12)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(15)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(16)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(2)Ti3Ni trigonal pyramid, and  an edgeedge with one O(10)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(1)Ti3Ni trigonal pyramid,  an edgeedge with one O(21)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(23)MgTi2Ni2 trigonal bipyramid, and  an edgeedge with one O(16)Ti2Ni2 trigonal pyramid. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Ti(6), one Ni(1), and one Ni(6) atom. 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 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(21)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(23)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(10)Ti2Ni2 trigonal pyramid, corners with two equivalent O(15)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(20)MgTi2Ni2 trigonal bipyramid, and  an edgeedge with one O(24)MgTi2Ni2 trigonal bipyramid. In the seventh O site, O(7) is bonded in a distorted 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 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 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 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(21)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(22)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(24)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(12)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(6)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(15)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(1)Ti3Ni trigonal pyramid. In the eleventh O site, O(11) is bonded in a rectangular 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 distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(20)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(23)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(24)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(10)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(16)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(1)Ti3Ni trigonal pyramid, and edges with two equivalent O(22)MgTi2Ni2 trigonal bipyramids. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to 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 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 Ti(4), one Ti(5), one Ni(5), and one Ni(6) atom to form distorted OTi2Ni2 trigonal pyramids that share corners with two equivalent O(21)MgTi2Ni2 trigonal bipyramids,  a cornercorner with one O(1)Ti3Ni trigonal pyramid, corners with two equivalent O(6)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(20)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(24)MgTi2Ni2 trigonal bipyramid, and  an edgeedge with one O(10)Ti2Ni2 trigonal pyramid. In the sixteenth O site, O(16) is bonded to one Ti(1), one Ti(8), one Ni(1), and one Ni(7) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(21)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(22)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(12)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(1)Ti3Ni trigonal pyramid, and  an edgeedge with one O(2)Ti3Ni trigonal pyramid. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(2), one Ti(8), one Ni(5), 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 in a rectangular see-saw-like 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), one Ni(5), and one Ni(6) atom to form distorted OMgTi2Ni2 trigonal bipyramids that share  a cornercorner with one O(23)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(24)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(12)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(1)Ti3Ni trigonal pyramid,  an edgeedge with one O(21)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(22)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(24)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(15)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 Mg(1), one Ti(4), one Ti(7), one Ni(5), and one Ni(7) atom to form distorted OMgTi2Ni2 trigonal bipyramids that share  a cornercorner with one O(22)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(24)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(10)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(16)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(6)Ti2Ni2 trigonal pyramid, corners with two equivalent O(15)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(20)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(23)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(24)MgTi2Ni2 trigonal bipyramid, and  an edgeedge with one O(2)Ti3Ni trigonal pyramid. In the twenty-second O site, O(22) is bonded to one Mg(1), one Ti(3), one Ti(8), one Ni(2), and one Ni(8) atom to form distorted OMgTi2Ni2 trigonal bipyramids that share  a cornercorner with one O(21)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(10)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(16)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(1)Ti3Ni trigonal pyramid,  an edgeedge with one O(20)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(23)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(24)MgTi2Ni2 trigonal bipyramid, and edges with two equivalent O(12)Ti2Ni2 trigonal pyramids. In the twenty-third O site, O(23) is bonded to one Mg(1), one Ti(2), one Ti(7), one Ni(3), and one Ni(8) atom to form distorted OMgTi2Ni2 trigonal bipyramids that share  a cornercorner with one O(20)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(12)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(6)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(21)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(22)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(24)MgTi2Ni2 trigonal bipyramid, and  an edgeedge with one O(2)Ti3Ni trigonal pyramid. In the twenty-fourth O site, O(24) is bonded to one Mg(1), one Ti(4), one Ti(6), one Ni(5), and one Ni(8) atom to form distorted OMgTi2Ni2 trigonal bipyramids that share  a cornercorner with one O(20)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(21)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(10)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(12)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(20)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(21)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(22)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(23)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(15)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   5.587
_cell_length_b   11.221
_cell_length_c   11.170
_cell_angle_alpha   53.986
_cell_angle_beta   54.031
_cell_angle_gamma   53.946
_symmetry_Int_Tables_number   1
_cell_volume   425.595
_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  0.499  0.748  0.749  1.0
  Ti  Ti1  1  0.358  0.177  0.172  1.0
  Ti  Ti2  1  0.139  0.078  0.571  1.0
  Ti  Ti3  1  0.129  0.575  0.080  1.0
  Ti  Ti4  1  0.153  0.559  0.566  1.0
  Ti  Ti5  1  0.863  0.424  0.420  1.0
  Ti  Ti6  1  0.854  0.415  0.936  1.0
  Ti  Ti7  1  0.877  0.931  0.407  1.0
  Ti  Ti8  1  0.826  0.943  0.933  1.0
  Ni  Ni9  1  0.147  0.073  0.073  1.0
  Ni  Ni10  1  0.342  0.679  0.172  1.0
  Ni  Ni11  1  0.357  0.167  0.678  1.0
  Ni  Ni12  1  0.642  0.324  0.326  1.0
  Ni  Ni13  1  0.321  0.663  0.666  1.0
  Ni  Ni14  1  0.647  0.331  0.819  1.0
  Ni  Ni15  1  0.654  0.820  0.329  1.0
  Ni  Ni16  1  0.675  0.833  0.833  1.0
  O  O17  1  0.054  0.376  0.218  1.0
  O  O18  1  0.436  0.037  0.375  1.0
  O  O19  1  0.733  0.228  0.030  1.0
  O  O20  1  0.231  0.277  0.473  1.0
  O  O21  1  0.557  0.471  0.115  1.0
  O  O22  1  0.052  0.379  0.720  1.0
  O  O23  1  0.045  0.873  0.233  1.0
  O  O24  1  0.952  0.118  0.284  1.0
  O  O25  1  0.472  0.029  0.874  1.0
  O  O26  1  0.437  0.522  0.380  1.0
  O  O27  1  0.767  0.216  0.527  1.0
  O  O28  1  0.758  0.723  0.035  1.0
  O  O29  1  0.228  0.288  0.976  1.0
  O  O30  1  0.232  0.776  0.467  1.0
  O  O31  1  0.546  0.469  0.614  1.0
  O  O32  1  0.570  0.980  0.120  1.0
  O  O33  1  0.085  0.876  0.712  1.0
  O  O34  1  0.953  0.116  0.780  1.0
  O  O35  1  0.945  0.616  0.280  1.0
  O  O36  1  0.428  0.539  0.876  1.0
  O  O37  1  0.749  0.709  0.540  1.0
  O  O38  1  0.242  0.784  0.960  1.0
  O  O39  1  0.572  0.957  0.618  1.0
  O  O40  1  0.917  0.617  0.783  1.0
[/CIF]
.
The structure described by MgTi8(NiO3)8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(17), one O(20), one O(21), one O(22), one O(23), and one O(24) atom to form MgO6 octahedra that share  a cornercorner with one Ni(2)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,  a cornercorner with one Ni(8)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one Ti(7)O6 octahedra,  a faceface with one Ni(5)O6 octahedra, and  a faceface with one Ni(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. 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(3)O6 octahedra,  a cornercorner with one Ti(5)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 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 43-61°. 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 Mg(1)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(7)O6 octahedra, and  a faceface with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-59°. 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,  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 Mg(1)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the fourth Ti site, Ti(4) is bonded in a 6-coordinate geometry to one O(10), one O(14), one O(15), one O(21), one O(24), and one O(6) atom. 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,  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(2)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, and  a faceface with one Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-61°. 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 distorted TiO6 octahedra that share  a cornercorner with one Ni(2)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 Mg(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ni(1)O6 octahedra, and  a faceface with one Ni(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-61°. 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(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 Mg(1)O6 octahedra,  an edgeedge with one Ti(2)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 41-62°. In the eighth Ti site, Ti(8) is bonded in a 6-coordinate geometry to one O(12), one O(16), one O(17), one O(18), one O(22), and one O(9) atom. 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(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, and  a faceface with one Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-63°. 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 NiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Ti(3)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,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(7)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 41-63°. 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 Mg(1)O6 octahedra,  a cornercorner with one Ti(2)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,  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 43-62°. 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(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,  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 45-61°. 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 Mg(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Ti(5)O6 octahedra, corners with two equivalent Ti(6)O6 octahedra, corners with two equivalent Ti(7)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 Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-55°. 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 NiO6 octahedra that share  a cornercorner with one Mg(1)O6 octahedra,  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(6)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Ti(1)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 47-60°. 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 Mg(1)O6 octahedra,  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, corners with two equivalent Ni(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ni(2)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 46-62°. 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 distorted NiO6 octahedra that share  a cornercorner with one Mg(1)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 Ni(2)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. 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 distorted OTi3Ni trigonal pyramids that share  a cornercorner with one O(20)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(22)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(12)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(15)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(16)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(2)Ti3Ni trigonal pyramid, and  an edgeedge with one O(10)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(1)Ti3Ni trigonal pyramid,  an edgeedge with one O(21)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(23)MgTi2Ni2 trigonal bipyramid, and  an edgeedge with one O(16)Ti2Ni2 trigonal pyramid. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ti(1), one Ti(6), one Ni(1), and one Ni(6) atom. 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 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(21)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(23)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(10)Ti2Ni2 trigonal pyramid, corners with two equivalent O(15)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(20)MgTi2Ni2 trigonal bipyramid, and  an edgeedge with one O(24)MgTi2Ni2 trigonal bipyramid. In the seventh O site, O(7) is bonded in a distorted 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 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 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 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(21)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(22)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(24)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(12)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(6)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(15)Ti2Ni2 trigonal pyramid, and  an edgeedge with one O(1)Ti3Ni trigonal pyramid. In the eleventh O site, O(11) is bonded in a rectangular 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 distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(20)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(23)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(24)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(10)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(16)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(1)Ti3Ni trigonal pyramid, and edges with two equivalent O(22)MgTi2Ni2 trigonal bipyramids. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to 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 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 Ti(4), one Ti(5), one Ni(5), and one Ni(6) atom to form distorted OTi2Ni2 trigonal pyramids that share corners with two equivalent O(21)MgTi2Ni2 trigonal bipyramids,  a cornercorner with one O(1)Ti3Ni trigonal pyramid, corners with two equivalent O(6)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(20)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(24)MgTi2Ni2 trigonal bipyramid, and  an edgeedge with one O(10)Ti2Ni2 trigonal pyramid. In the sixteenth O site, O(16) is bonded to one Ti(1), one Ti(8), one Ni(1), and one Ni(7) atom to form distorted OTi2Ni2 trigonal pyramids that share  a cornercorner with one O(21)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(22)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(12)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(1)Ti3Ni trigonal pyramid, and  an edgeedge with one O(2)Ti3Ni trigonal pyramid. In the seventeenth O site, O(17) is bonded in a 5-coordinate geometry to one Mg(1), one Ti(2), one Ti(8), one Ni(5), 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 in a rectangular see-saw-like 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), one Ni(5), and one Ni(6) atom to form distorted OMgTi2Ni2 trigonal bipyramids that share  a cornercorner with one O(23)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(24)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(12)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(1)Ti3Ni trigonal pyramid,  an edgeedge with one O(21)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(22)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(24)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(15)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 Mg(1), one Ti(4), one Ti(7), one Ni(5), and one Ni(7) atom to form distorted OMgTi2Ni2 trigonal bipyramids that share  a cornercorner with one O(22)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(24)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(10)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(16)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(6)Ti2Ni2 trigonal pyramid, corners with two equivalent O(15)Ti2Ni2 trigonal pyramids,  an edgeedge with one O(20)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(23)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(24)MgTi2Ni2 trigonal bipyramid, and  an edgeedge with one O(2)Ti3Ni trigonal pyramid. In the twenty-second O site, O(22) is bonded to one Mg(1), one Ti(3), one Ti(8), one Ni(2), and one Ni(8) atom to form distorted OMgTi2Ni2 trigonal bipyramids that share  a cornercorner with one O(21)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(10)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(16)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(1)Ti3Ni trigonal pyramid,  an edgeedge with one O(20)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(23)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(24)MgTi2Ni2 trigonal bipyramid, and edges with two equivalent O(12)Ti2Ni2 trigonal pyramids. In the twenty-third O site, O(23) is bonded to one Mg(1), one Ti(2), one Ti(7), one Ni(3), and one Ni(8) atom to form distorted OMgTi2Ni2 trigonal bipyramids that share  a cornercorner with one O(20)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(12)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(6)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(21)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(22)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(24)MgTi2Ni2 trigonal bipyramid, and  an edgeedge with one O(2)Ti3Ni trigonal pyramid. In the twenty-fourth O site, O(24) is bonded to one Mg(1), one Ti(4), one Ti(6), one Ni(5), and one Ni(8) atom to form distorted OMgTi2Ni2 trigonal bipyramids that share  a cornercorner with one O(20)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(21)MgTi2Ni2 trigonal bipyramid,  a cornercorner with one O(10)Ti2Ni2 trigonal pyramid,  a cornercorner with one O(12)Ti2Ni2 trigonal pyramid,  an edgeedge with one O(20)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(21)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(22)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(23)MgTi2Ni2 trigonal bipyramid,  an edgeedge with one O(15)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   5.587
_cell_length_b   11.221
_cell_length_c   11.170
_cell_angle_alpha   53.986
_cell_angle_beta   54.031
_cell_angle_gamma   53.946
_symmetry_Int_Tables_number   1
_cell_volume   425.595
_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  0.499  0.748  0.749  1.0
  Ti  Ti1  1  0.358  0.177  0.172  1.0
  Ti  Ti2  1  0.139  0.078  0.571  1.0
  Ti  Ti3  1  0.129  0.575  0.080  1.0
  Ti  Ti4  1  0.153  0.559  0.566  1.0
  Ti  Ti5  1  0.863  0.424  0.420  1.0
  Ti  Ti6  1  0.854  0.415  0.936  1.0
  Ti  Ti7  1  0.877  0.931  0.407  1.0
  Ti  Ti8  1  0.826  0.943  0.933  1.0
  Ni  Ni9  1  0.147  0.073  0.073  1.0
  Ni  Ni10  1  0.342  0.679  0.172  1.0
  Ni  Ni11  1  0.357  0.167  0.678  1.0
  Ni  Ni12  1  0.642  0.324  0.326  1.0
  Ni  Ni13  1  0.321  0.663  0.666  1.0
  Ni  Ni14  1  0.647  0.331  0.819  1.0
  Ni  Ni15  1  0.654  0.820  0.329  1.0
  Ni  Ni16  1  0.675  0.833  0.833  1.0
  O  O17  1  0.054  0.376  0.218  1.0
  O  O18  1  0.436  0.037  0.375  1.0
  O  O19  1  0.733  0.228  0.030  1.0
  O  O20  1  0.231  0.277  0.473  1.0
  O  O21  1  0.557  0.471  0.115  1.0
  O  O22  1  0.052  0.379  0.720  1.0
  O  O23  1  0.045  0.873  0.233  1.0
  O  O24  1  0.952  0.118  0.284  1.0
  O  O25  1  0.472  0.029  0.874  1.0
  O  O26  1  0.437  0.522  0.380  1.0
  O  O27  1  0.767  0.216  0.527  1.0
  O  O28  1  0.758  0.723  0.035  1.0
  O  O29  1  0.228  0.288  0.976  1.0
  O  O30  1  0.232  0.776  0.467  1.0
  O  O31  1  0.546  0.469  0.614  1.0
  O  O32  1  0.570  0.980  0.120  1.0
  O  O33  1  0.085  0.876  0.712  1.0
  O  O34  1  0.953  0.116  0.780  1.0
  O  O35  1  0.945  0.616  0.280  1.0
  O  O36  1  0.428  0.539  0.876  1.0
  O  O37  1  0.749  0.709  0.540  1.0
  O  O38  1  0.242  0.784  0.960  1.0
  O  O39  1  0.572  0.957  0.618  1.0
  O  O40  1  0.917  0.617  0.783  1.0
[/CIF]
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