Li2Ni3Si3O10 is Aluminum carbonitride-derived structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted LiO5 square pyramids that share  a cornercorner with one Si(1)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Li(1)O5 square pyramid, and  an edgeedge with one Si(1)O4 tetrahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms. In the second Ni site, Ni(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, edges with two equivalent Li(1)O5 square pyramids, and edges with two equivalent Si(1)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Si(2)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 61°. In the second Si site, Si(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with six equivalent Li(1)O5 square pyramids and corners with two equivalent Si(1)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Ni(1), and one Si(2) atom to form distorted OLi2SiNi tetrahedra that share  a cornercorner with one O(1)Li2SiNi tetrahedra, corners with three equivalent O(3)LiSiNi2 tetrahedra, and  an edgeedge with one O(1)Li2SiNi tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), one Si(1), and one Si(2) atom. In the third O site, O(3) is bonded to one Li(1), one Ni(1), one Ni(2), and one Si(1) atom to form distorted OLiSiNi2 tetrahedra that share  a cornercorner with one O(3)LiSiNi2 tetrahedra and corners with three equivalent O(1)Li2SiNi tetrahedra. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(1), one Ni(2), and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ni(2), two equivalent Ni(1), and one Si(1) atom.
Li2Ni3Si3O10 is Aluminum carbonitride-derived structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted LiO5 square pyramids that share  a cornercorner with one Si(1)O4 tetrahedra, corners with three equivalent Si(2)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra,  an edgeedge with one Li(1)O5 square pyramid, and  an edgeedge with one Si(1)O4 tetrahedra. The Li(1)-O(2) bond length is 2.30 Å. The Li(1)-O(3) bond length is 1.99 Å. The Li(1)-O(4) bond length is 2.36 Å. There is one shorter (2.00 Å) and one longer (2.20 Å) Li(1)-O(1) bond length. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms. The Ni(1)-O(1) bond length is 2.12 Å. The Ni(1)-O(2) bond length is 2.56 Å. The Ni(1)-O(3) bond length is 2.09 Å. The Ni(1)-O(4) bond length is 2.01 Å. There is one shorter (2.06 Å) and one longer (2.16 Å) Ni(1)-O(5) bond length. In the second Ni site, Ni(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, edges with two equivalent Li(1)O5 square pyramids, and edges with two equivalent Si(1)O4 tetrahedra. Both Ni(2)-O(3) bond lengths are 2.06 Å. Both Ni(2)-O(4) bond lengths are 2.11 Å. Both Ni(2)-O(5) bond lengths are 2.14 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Ni(2)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Si(2)O4 tetrahedra,  an edgeedge with one Ni(2)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 61°. The Si(1)-O(2) bond length is 1.67 Å. The Si(1)-O(3) bond length is 1.63 Å. The Si(1)-O(4) bond length is 1.63 Å. The Si(1)-O(5) bond length is 1.66 Å. In the second Si site, Si(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with six equivalent Li(1)O5 square pyramids and corners with two equivalent Si(1)O4 tetrahedra. Both Si(2)-O(1) bond lengths are 1.63 Å. Both Si(2)-O(2) bond lengths are 1.68 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Ni(1), and one Si(2) atom to form distorted OLi2SiNi tetrahedra that share  a cornercorner with one O(1)Li2SiNi tetrahedra, corners with three equivalent O(3)LiSiNi2 tetrahedra, and  an edgeedge with one O(1)Li2SiNi tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Ni(1), one Si(1), and one Si(2) atom. In the third O site, O(3) is bonded to one Li(1), one Ni(1), one Ni(2), and one Si(1) atom to form distorted OLiSiNi2 tetrahedra that share  a cornercorner with one O(3)LiSiNi2 tetrahedra and corners with three equivalent O(1)Li2SiNi tetrahedra. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ni(1), one Ni(2), and one Si(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ni(2), two equivalent Ni(1), and one Si(1) atom.