Li2NiSiO4 crystallizes in the trigonal P3_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share corners with four equivalent Li(2)O4 tetrahedra and corners with four equivalent Si(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with four equivalent Si(1)O4 tetrahedra. Ni(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with four equivalent Li(2)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Ni(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing OLi2SiNi tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Ni(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing OLi2SiNi tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Ni(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing OLi2SiNi tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Ni(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing OLi2SiNi tetrahedra.
Li2NiSiO4 crystallizes in the trigonal P3_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share corners with four equivalent Li(2)O4 tetrahedra and corners with four equivalent Si(1)O4 tetrahedra. The Li(1)-O(1) bond length is 2.07 Å. The Li(1)-O(2) bond length is 2.00 Å. The Li(1)-O(3) bond length is 1.94 Å. The Li(1)-O(4) bond length is 1.93 Å. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with four equivalent Si(1)O4 tetrahedra. The Li(2)-O(1) bond length is 1.99 Å. The Li(2)-O(2) bond length is 1.94 Å. The Li(2)-O(3) bond length is 2.04 Å. The Li(2)-O(4) bond length is 1.96 Å. Ni(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Ni(1)-O(1) bond length is 2.01 Å. The Ni(1)-O(2) bond length is 2.01 Å. The Ni(1)-O(3) bond length is 1.98 Å. The Ni(1)-O(4) bond length is 2.04 Å. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with four equivalent Li(1)O4 tetrahedra and corners with four equivalent Li(2)O4 tetrahedra. The Si(1)-O(1) bond length is 1.66 Å. The Si(1)-O(2) bond length is 1.65 Å. The Si(1)-O(3) bond length is 1.65 Å. The Si(1)-O(4) bond length is 1.65 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Ni(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing OLi2SiNi tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Ni(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing OLi2SiNi tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Ni(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing OLi2SiNi tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Ni(1), and one Si(1) atom to form a mixture of distorted edge and corner-sharing OLi2SiNi tetrahedra.