LiCoSiO4 is Hausmannite-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(1), one O(3), and four equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, corners with four equivalent Si(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-59°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-59°. Si(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-70°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Co(1), and one Si(1) atom to form corner-sharing OLiCo2Si trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Co(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Co(1), and one Si(1) atom.
LiCoSiO4 is Hausmannite-derived structured and crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(1), one O(3), and four equivalent O(2) atoms to form distorted LiO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, corners with four equivalent Si(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-59°. The Li(1)-O(1) bond length is 2.15 Å. The Li(1)-O(3) bond length is 2.19 Å. There are two shorter (2.07 Å) and two longer (2.40 Å) Li(1)-O(2) bond lengths. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-59°. Both Co(1)-O(1) bond lengths are 1.98 Å. Both Co(1)-O(2) bond lengths are 1.92 Å. Both Co(1)-O(3) bond lengths are 2.12 Å. Si(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-70°. The Si(1)-O(1) bond length is 1.71 Å. The Si(1)-O(3) bond length is 1.61 Å. Both Si(1)-O(2) bond lengths are 1.65 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Co(1), and one Si(1) atom to form corner-sharing OLiCo2Si trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Co(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Co(1), and one Si(1) atom.