Li2NiSiO4 is beta beryllia-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Ni(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Si(2)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and  an edgeedge with one Ni(2)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(3), one O(5), one O(7), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Ni(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and  an edgeedge with one Ni(1)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(2), one O(5), one O(6), and one O(8) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Ni(2)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form NiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the second Ni site, Ni(2) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form NiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(4), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Ni(2)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Ni(2)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. There are eight 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(2) atom to form a mixture of corner and edge-sharing OLi2SiNi tetrahedra. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Ni(1), and one Si(1) atom to form a mixture of corner and edge-sharing OLi2SiNi tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Ni(1), and one Si(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Ni(2), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Ni(1), and one Si(2) atom. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Ni(2), and one Si(2) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Ni(2), and one Si(2) atom to form a mixture of corner and edge-sharing OLi2SiNi tetrahedra. In the eighth O site, O(8) is bonded to one Li(3), one Li(4), one Ni(2), and one Si(1) atom to form a mixture of corner and edge-sharing OLi2SiNi tetrahedra.
Li2NiSiO4 is beta beryllia-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Ni(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Si(2)O4 tetrahedra. The Li(1)-O(1) bond length is 2.08 Å. The Li(1)-O(3) bond length is 2.03 Å. The Li(1)-O(4) bond length is 2.03 Å. The Li(1)-O(7) bond length is 2.09 Å. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and  an edgeedge with one Ni(2)O4 tetrahedra. The Li(2)-O(1) bond length is 1.92 Å. The Li(2)-O(2) bond length is 1.93 Å. The Li(2)-O(4) bond length is 2.01 Å. The Li(2)-O(6) bond length is 2.01 Å. In the third Li site, Li(3) is bonded to one O(3), one O(5), one O(7), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Ni(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and  an edgeedge with one Ni(1)O4 tetrahedra. The Li(3)-O(3) bond length is 2.01 Å. The Li(3)-O(5) bond length is 2.00 Å. The Li(3)-O(7) bond length is 1.92 Å. The Li(3)-O(8) bond length is 1.92 Å. In the fourth Li site, Li(4) is bonded to one O(2), one O(5), one O(6), and one O(8) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Ni(2)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The Li(4)-O(2) bond length is 2.07 Å. The Li(4)-O(5) bond length is 2.04 Å. The Li(4)-O(6) bond length is 2.03 Å. The Li(4)-O(8) bond length is 2.10 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form NiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The Ni(1)-O(1) bond length is 1.96 Å. The Ni(1)-O(2) bond length is 1.96 Å. The Ni(1)-O(3) bond length is 2.00 Å. The Ni(1)-O(5) bond length is 2.00 Å. In the second Ni site, Ni(2) is bonded to one O(4), one O(6), one O(7), and one O(8) atom to form NiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The Ni(2)-O(4) bond length is 2.00 Å. The Ni(2)-O(6) bond length is 2.00 Å. The Ni(2)-O(7) bond length is 1.96 Å. The Ni(2)-O(8) bond length is 1.96 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(2), one O(3), one O(4), and one O(8) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Ni(2)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The Si(1)-O(2) bond length is 1.66 Å. The Si(1)-O(3) bond length is 1.65 Å. The Si(1)-O(4) bond length is 1.65 Å. The Si(1)-O(8) bond length is 1.66 Å. In the second Si site, Si(2) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Ni(2)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. The Si(2)-O(1) bond length is 1.66 Å. The Si(2)-O(5) bond length is 1.65 Å. The Si(2)-O(6) bond length is 1.65 Å. The Si(2)-O(7) bond length is 1.66 Å. There are eight 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(2) atom to form a mixture of corner and edge-sharing OLi2SiNi tetrahedra. In the second O site, O(2) is bonded to one Li(2), one Li(4), one Ni(1), and one Si(1) atom to form a mixture of corner and edge-sharing OLi2SiNi tetrahedra. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Ni(1), and one Si(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Ni(2), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Li(4), one Ni(1), and one Si(2) atom. In the sixth O site, O(6) is bonded to one Li(2), one Li(4), one Ni(2), and one Si(2) atom to form a mixture of distorted corner and edge-sharing OLi2SiNi tetrahedra. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Ni(2), and one Si(2) atom to form a mixture of corner and edge-sharing OLi2SiNi tetrahedra. In the eighth O site, O(8) is bonded to one Li(3), one Li(4), one Ni(2), and one Si(1) atom to form a mixture of corner and edge-sharing OLi2SiNi tetrahedra.