LiNiSiO4 is Hausmannite-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra and corners with six equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-67°. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Si(1)O6 octahedra. Si(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Si(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ni(1), and two equivalent Si(1) atoms. In the second O site, O(2) is bonded to one Li(1), two equivalent Ni(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing OLiSiNi2 tetrahedra.
LiNiSiO4 is Hausmannite-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Ni(1)O6 octahedra and corners with six equivalent Si(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-67°. Both Li(1)-O(1) bond lengths are 1.96 Å. Both Li(1)-O(2) bond lengths are 1.94 Å. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted NiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, and edges with four equivalent Si(1)O6 octahedra. Both Ni(1)-O(1) bond lengths are 2.11 Å. All Ni(1)-O(2) bond lengths are 1.92 Å. Si(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Si(1)O6 octahedra, and edges with four equivalent Ni(1)O6 octahedra. Both Si(1)-O(2) bond lengths are 1.83 Å. All Si(1)-O(1) bond lengths are 1.81 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ni(1), and two equivalent Si(1) atoms. In the second O site, O(2) is bonded to one Li(1), two equivalent Ni(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing OLiSiNi2 tetrahedra.