LiCoSiO4 is Hausmannite-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 Co(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 55-64°. Co(1) is bonded to one O(1), one O(3), and four equivalent O(2) atoms to form CoO6 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 Li(1)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-64°. 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 Li(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-61°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Co(1), and one Si(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Co(1), and one Si(1) atom. In the third O site, O(3) is bonded to two equivalent Li(1), one Co(1), and one Si(1) atom to form distorted corner-sharing OLi2CoSi tetrahedra.
LiCoSiO4 is Hausmannite-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 Co(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 55-64°. Both Li(1)-O(1) bond lengths are 2.15 Å. Both Li(1)-O(2) bond lengths are 2.23 Å. Both Li(1)-O(3) bond lengths are 2.05 Å. Co(1) is bonded to one O(1), one O(3), and four equivalent O(2) atoms to form CoO6 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 Li(1)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-64°. The Co(1)-O(1) bond length is 1.98 Å. The Co(1)-O(3) bond length is 2.01 Å. There are two shorter (1.95 Å) and two longer (2.20 Å) Co(1)-O(2) bond lengths. 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 Li(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and edges with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-61°. The Si(1)-O(1) bond length is 1.63 Å. The Si(1)-O(3) bond length is 1.63 Å. Both Si(1)-O(2) bond lengths are 1.67 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Co(1), and one Si(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Co(1), and one Si(1) atom. In the third O site, O(3) is bonded to two equivalent Li(1), one Co(1), and one Si(1) atom to form distorted corner-sharing OLi2CoSi tetrahedra.