Li3Ni(SbO3)4 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(6) atom. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(7) atom. Ni(1) is bonded to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom to form distorted NiO6 octahedra that share  a cornercorner with one Sb(3)O6 octahedra, corners with two equivalent Sb(4)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra, edges with two equivalent Sb(2)O6 octahedra, and  a faceface with one Sb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form SbO6 octahedra that share corners with two equivalent Sb(3)O6 octahedra, corners with four equivalent Sb(4)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-43°. In the second Sb site, Sb(2) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form SbO6 octahedra that share corners with two equivalent Sb(4)O6 octahedra, corners with four equivalent Sb(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-46°. In the third Sb site, Sb(3) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form SbO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-59°. In the fourth Sb site, Sb(4) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form SbO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-60°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(3), one Ni(1), one Sb(2), and one Sb(3) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Sb(1), and one Sb(3) atom to form distorted OLi2Sb2 trigonal pyramids that share  a cornercorner with one O(4)LiNiSb2 trigonal pyramid, corners with two equivalent O(12)Li2Sb2 trigonal pyramids, corners with two equivalent O(6)Li2Sb2 trigonal pyramids, and  an edgeedge with one O(3)Li2Sb2 trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Sb(1), and one Sb(4) atom to form distorted OLi2Sb2 trigonal pyramids that share  a cornercorner with one O(4)LiNiSb2 trigonal pyramid, corners with two equivalent O(12)Li2Sb2 trigonal pyramids,  an edgeedge with one O(2)Li2Sb2 trigonal pyramid, and  an edgeedge with one O(6)Li2Sb2 trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(3), one Ni(1), one Sb(2), and one Sb(3) atom to form a mixture of distorted corner and edge-sharing OLiNiSb2 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Sb(1), and one Sb(4) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Sb(2), and one Sb(4) atom to form distorted OLi2Sb2 trigonal pyramids that share  a cornercorner with one O(4)LiNiSb2 trigonal pyramid, corners with two equivalent O(2)Li2Sb2 trigonal pyramids,  an edgeedge with one O(12)Li2Sb2 trigonal pyramid, and  an edgeedge with one O(3)Li2Sb2 trigonal pyramid. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Li(3), one Ni(1), one Sb(2), and one Sb(4) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(2), one Ni(1), one Sb(1), and one Sb(4) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Li(2), one Ni(1), one Sb(2), and one Sb(3) atom. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Sb(1), and one Sb(4) atom. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Li(3), one Ni(1), one Sb(1), and one Sb(3) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Li(3), one Sb(2), and one Sb(3) atom to form distorted OLi2Sb2 trigonal pyramids that share  a cornercorner with one O(4)LiNiSb2 trigonal pyramid, corners with two equivalent O(2)Li2Sb2 trigonal pyramids, corners with two equivalent O(3)Li2Sb2 trigonal pyramids,  an edgeedge with one O(6)Li2Sb2 trigonal pyramid, and  an edgeedge with one O(4)LiNiSb2 trigonal pyramid.
Li3Ni(SbO3)4 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(10), one O(12), one O(2), one O(3), one O(5), and one O(6) atom. The Li(1)-O(10) bond length is 2.02 Å. The Li(1)-O(12) bond length is 2.04 Å. The Li(1)-O(2) bond length is 2.02 Å. The Li(1)-O(3) bond length is 2.30 Å. The Li(1)-O(5) bond length is 2.29 Å. The Li(1)-O(6) bond length is 2.36 Å. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom. The Li(2)-O(10) bond length is 2.27 Å. The Li(2)-O(2) bond length is 2.32 Å. The Li(2)-O(5) bond length is 2.03 Å. The Li(2)-O(6) bond length is 2.02 Å. The Li(2)-O(8) bond length is 2.33 Å. The Li(2)-O(9) bond length is 2.07 Å. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(7) atom. The Li(3)-O(1) bond length is 2.05 Å. The Li(3)-O(11) bond length is 2.05 Å. The Li(3)-O(12) bond length is 2.32 Å. The Li(3)-O(3) bond length is 2.02 Å. The Li(3)-O(4) bond length is 2.37 Å. The Li(3)-O(7) bond length is 2.34 Å. Ni(1) is bonded to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom to form distorted NiO6 octahedra that share  a cornercorner with one Sb(3)O6 octahedra, corners with two equivalent Sb(4)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra, edges with two equivalent Sb(2)O6 octahedra, and  a faceface with one Sb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-60°. The Ni(1)-O(1) bond length is 2.14 Å. The Ni(1)-O(11) bond length is 2.12 Å. The Ni(1)-O(4) bond length is 2.06 Å. The Ni(1)-O(7) bond length is 2.07 Å. The Ni(1)-O(8) bond length is 2.06 Å. The Ni(1)-O(9) bond length is 2.15 Å. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form SbO6 octahedra that share corners with two equivalent Sb(3)O6 octahedra, corners with four equivalent Sb(4)O6 octahedra, and  an edgeedge with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-43°. The Sb(1)-O(10) bond length is 2.07 Å. The Sb(1)-O(11) bond length is 2.03 Å. The Sb(1)-O(2) bond length is 2.04 Å. The Sb(1)-O(3) bond length is 2.02 Å. The Sb(1)-O(5) bond length is 2.00 Å. The Sb(1)-O(8) bond length is 2.11 Å. In the second Sb site, Sb(2) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form SbO6 octahedra that share corners with two equivalent Sb(4)O6 octahedra, corners with four equivalent Sb(3)O6 octahedra, and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-46°. The Sb(2)-O(1) bond length is 2.04 Å. The Sb(2)-O(12) bond length is 2.05 Å. The Sb(2)-O(4) bond length is 2.08 Å. The Sb(2)-O(6) bond length is 2.00 Å. The Sb(2)-O(7) bond length is 2.13 Å. The Sb(2)-O(9) bond length is 2.02 Å. In the third Sb site, Sb(3) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form SbO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with four equivalent Sb(2)O6 octahedra, and  a faceface with one Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-59°. The Sb(3)-O(1) bond length is 2.13 Å. The Sb(3)-O(11) bond length is 2.14 Å. The Sb(3)-O(12) bond length is 2.01 Å. The Sb(3)-O(2) bond length is 2.00 Å. The Sb(3)-O(4) bond length is 2.03 Å. The Sb(3)-O(9) bond length is 2.11 Å. In the fourth Sb site, Sb(4) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form SbO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-60°. The Sb(4)-O(10) bond length is 2.02 Å. The Sb(4)-O(3) bond length is 2.06 Å. The Sb(4)-O(5) bond length is 2.05 Å. The Sb(4)-O(6) bond length is 2.05 Å. The Sb(4)-O(7) bond length is 2.04 Å. The Sb(4)-O(8) bond length is 2.04 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Li(3), one Ni(1), one Sb(2), and one Sb(3) atom. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Sb(1), and one Sb(3) atom to form distorted OLi2Sb2 trigonal pyramids that share  a cornercorner with one O(4)LiNiSb2 trigonal pyramid, corners with two equivalent O(12)Li2Sb2 trigonal pyramids, corners with two equivalent O(6)Li2Sb2 trigonal pyramids, and  an edgeedge with one O(3)Li2Sb2 trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Sb(1), and one Sb(4) atom to form distorted OLi2Sb2 trigonal pyramids that share  a cornercorner with one O(4)LiNiSb2 trigonal pyramid, corners with two equivalent O(12)Li2Sb2 trigonal pyramids,  an edgeedge with one O(2)Li2Sb2 trigonal pyramid, and  an edgeedge with one O(6)Li2Sb2 trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(3), one Ni(1), one Sb(2), and one Sb(3) atom to form a mixture of distorted corner and edge-sharing OLiNiSb2 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Sb(1), and one Sb(4) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Sb(2), and one Sb(4) atom to form distorted OLi2Sb2 trigonal pyramids that share  a cornercorner with one O(4)LiNiSb2 trigonal pyramid, corners with two equivalent O(2)Li2Sb2 trigonal pyramids,  an edgeedge with one O(12)Li2Sb2 trigonal pyramid, and  an edgeedge with one O(3)Li2Sb2 trigonal pyramid. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Li(3), one Ni(1), one Sb(2), and one Sb(4) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(2), one Ni(1), one Sb(1), and one Sb(4) atom. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Li(2), one Ni(1), one Sb(2), and one Sb(3) atom. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(2), one Sb(1), and one Sb(4) atom. In the eleventh O site, O(11) is bonded in a distorted see-saw-like geometry to one Li(3), one Ni(1), one Sb(1), and one Sb(3) atom. In the twelfth O site, O(12) is bonded to one Li(1), one Li(3), one Sb(2), and one Sb(3) atom to form distorted OLi2Sb2 trigonal pyramids that share  a cornercorner with one O(4)LiNiSb2 trigonal pyramid, corners with two equivalent O(2)Li2Sb2 trigonal pyramids, corners with two equivalent O(3)Li2Sb2 trigonal pyramids,  an edgeedge with one O(6)Li2Sb2 trigonal pyramid, and  an edgeedge with one O(4)LiNiSb2 trigonal pyramid.