LiInSiO4 is Ilmenite-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with four equivalent In(1)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent In(1)O6 octahedra, and edges with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-65°. In(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form InO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent In(1)O6 octahedra, corners with four equivalent Si(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-65°. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent In(1)O6 octahedra,  an edgeedge with one In(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent In(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one In(1), and one Si(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one In(1), and one Si(1) atom.
LiInSiO4 is Ilmenite-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with four equivalent In(1)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent In(1)O6 octahedra, and edges with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 56-65°. Both Li(1)-O(1) bond lengths are 2.20 Å. Both Li(1)-O(2) bond lengths are 2.21 Å. Both Li(1)-O(3) bond lengths are 2.19 Å. In(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form InO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent In(1)O6 octahedra, corners with four equivalent Si(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-65°. The In(1)-O(2) bond length is 2.19 Å. The In(1)-O(3) bond length is 2.13 Å. There are two shorter (2.17 Å) and two longer (2.27 Å) In(1)-O(1) bond lengths. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent In(1)O6 octahedra,  an edgeedge with one In(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-59°. The Si(1)-O(2) bond length is 1.62 Å. The Si(1)-O(3) bond length is 1.64 Å. Both Si(1)-O(1) bond lengths are 1.68 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent In(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one In(1), and one Si(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one In(1), and one Si(1) atom.