Li2NiSiO4 is beta beryllia-derived structured and crystallizes in the monoclinic C2 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Ni(2)O4 tetrahedra, and  an edgeedge with one Si(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to two equivalent O(3) and two equivalent O(8) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Si(3)O4 tetrahedra, corners with four equivalent Li(4)O4 tetrahedra, corners with four equivalent Ni(2)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. In the third Li site, Li(3) is bonded to two equivalent O(4) and two equivalent O(7) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Si(3)O4 tetrahedra, corners with four equivalent Li(5)O4 tetrahedra, corners with four equivalent Ni(1)O4 tetrahedra, and  an edgeedge with one Si(2)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O4 tetrahedra,  a cornercorner with one Ni(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and  an edgeedge with one Ni(2)O4 tetrahedra. In the fifth Li site, Li(5) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O4 tetrahedra,  a cornercorner with one Ni(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and  an edgeedge with one Ni(1)O4 tetrahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form NiO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. In the second Ni site, Ni(2) is bonded to one O(2), one O(3), one O(5), and one O(8) atom to form NiO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(4)O4 tetrahedra, corners with four equivalent Ni(2)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to two equivalent O(4) and two equivalent O(6) atoms to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(5)O4 tetrahedra, corners with four equivalent Ni(1)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the third Si site, Si(3) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(5)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(4), one Ni(1), and one Si(3) atom to form a mixture of edge and corner-sharing OLi2SiNi tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(5), one Ni(2), and one Si(3) atom to form a mixture of edge and corner-sharing OLi2SiNi tetrahedra. In the third O site, O(3) is bonded to one Li(2), one Li(4), one Ni(2), and one Si(1) atom to form a mixture of edge and corner-sharing OLi2SiNi tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), one Li(5), one Ni(1), and one Si(2) atom to form a mixture of edge and corner-sharing OLi2SiNi tetrahedra. In the fifth O site, O(5) is bonded to one Li(1), one Li(4), one Ni(2), and one Si(1) atom to form a mixture of distorted edge and corner-sharing OLi2SiNi tetrahedra. In the sixth O site, O(6) is bonded to one Li(1), one Li(5), one Ni(1), and one Si(2) atom to form a mixture of distorted edge and corner-sharing OLi2SiNi tetrahedra. In the seventh O site, O(7) is bonded to one Li(3), one Li(5), one Ni(1), and one Si(3) atom to form a mixture of distorted edge and corner-sharing OLi2SiNi tetrahedra. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Ni(2), and one Si(3) atom to form a mixture of distorted edge and corner-sharing OLi2SiNi tetrahedra.
Li2NiSiO4 is beta beryllia-derived structured and crystallizes in the monoclinic C2 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Ni(1)O4 tetrahedra, corners with two equivalent Ni(2)O4 tetrahedra, and  an edgeedge with one Si(3)O4 tetrahedra. The Li(1)-O(1) bond length is 2.05 Å. The Li(1)-O(2) bond length is 2.05 Å. The Li(1)-O(5) bond length is 2.01 Å. The Li(1)-O(6) bond length is 2.01 Å. In the second Li site, Li(2) is bonded to two equivalent O(3) and two equivalent O(8) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Si(3)O4 tetrahedra, corners with four equivalent Li(4)O4 tetrahedra, corners with four equivalent Ni(2)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. Both Li(2)-O(3) bond lengths are 2.09 Å. Both Li(2)-O(8) bond lengths are 1.99 Å. In the third Li site, Li(3) is bonded to two equivalent O(4) and two equivalent O(7) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Si(3)O4 tetrahedra, corners with four equivalent Li(5)O4 tetrahedra, corners with four equivalent Ni(1)O4 tetrahedra, and  an edgeedge with one Si(2)O4 tetrahedra. Both Li(3)-O(4) bond lengths are 2.08 Å. Both Li(3)-O(7) bond lengths are 1.99 Å. In the fourth Li site, Li(4) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O4 tetrahedra,  a cornercorner with one Ni(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and  an edgeedge with one Ni(2)O4 tetrahedra. The Li(4)-O(1) bond length is 1.93 Å. The Li(4)-O(3) bond length is 1.94 Å. The Li(4)-O(5) bond length is 2.02 Å. The Li(4)-O(8) bond length is 2.04 Å. In the fifth Li site, Li(5) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Ni(1)O4 tetrahedra,  a cornercorner with one Ni(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and  an edgeedge with one Ni(1)O4 tetrahedra. The Li(5)-O(2) bond length is 1.94 Å. The Li(5)-O(4) bond length is 1.94 Å. The Li(5)-O(6) bond length is 2.02 Å. The Li(5)-O(7) bond length is 2.04 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form NiO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Si(2)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and  an edgeedge with one Li(5)O4 tetrahedra. The Ni(1)-O(1) bond length is 1.97 Å. The Ni(1)-O(4) bond length is 1.96 Å. The Ni(1)-O(6) bond length is 1.99 Å. The Ni(1)-O(7) bond length is 2.00 Å. In the second Ni site, Ni(2) is bonded to one O(2), one O(3), one O(5), and one O(8) atom to form NiO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. The Ni(2)-O(2) bond length is 1.97 Å. The Ni(2)-O(3) bond length is 1.96 Å. The Ni(2)-O(5) bond length is 1.99 Å. The Ni(2)-O(8) bond length is 2.00 Å. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(4)O4 tetrahedra, corners with four equivalent Ni(2)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. Both Si(1)-O(3) bond lengths are 1.66 Å. Both Si(1)-O(5) bond lengths are 1.65 Å. In the second Si site, Si(2) is bonded to two equivalent O(4) and two equivalent O(6) atoms to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(5)O4 tetrahedra, corners with four equivalent Ni(1)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. Both Si(2)-O(4) bond lengths are 1.66 Å. Both Si(2)-O(6) bond lengths are 1.65 Å. In the third Si site, Si(3) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(5)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(3)-O(1) bond length is 1.65 Å. The Si(3)-O(2) bond length is 1.65 Å. The Si(3)-O(7) bond length is 1.65 Å. The Si(3)-O(8) bond length is 1.65 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(4), one Ni(1), and one Si(3) atom to form a mixture of edge and corner-sharing OLi2SiNi tetrahedra. In the second O site, O(2) is bonded to one Li(1), one Li(5), one Ni(2), and one Si(3) atom to form a mixture of edge and corner-sharing OLi2SiNi tetrahedra. In the third O site, O(3) is bonded to one Li(2), one Li(4), one Ni(2), and one Si(1) atom to form a mixture of edge and corner-sharing OLi2SiNi tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), one Li(5), one Ni(1), and one Si(2) atom to form a mixture of edge and corner-sharing OLi2SiNi tetrahedra. In the fifth O site, O(5) is bonded to one Li(1), one Li(4), one Ni(2), and one Si(1) atom to form a mixture of distorted edge and corner-sharing OLi2SiNi tetrahedra. In the sixth O site, O(6) is bonded to one Li(1), one Li(5), one Ni(1), and one Si(2) atom to form a mixture of distorted edge and corner-sharing OLi2SiNi tetrahedra. In the seventh O site, O(7) is bonded to one Li(3), one Li(5), one Ni(1), and one Si(3) atom to form a mixture of distorted edge and corner-sharing OLi2SiNi tetrahedra. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Ni(2), and one Si(3) atom to form a mixture of distorted edge and corner-sharing OLi2SiNi tetrahedra.