Li2BeSiO4 crystallizes in the orthorhombic C222_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with two equivalent Be(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Be(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Be(1)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. Be(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form BeO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. Si(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Be(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Be(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLi2BeSi trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Be(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLi2BeSi trigonal pyramids.
Li2BeSiO4 crystallizes in the orthorhombic C222_1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with two equivalent Be(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Be(1)O4 tetrahedra. Both Li(1)-O(1) bond lengths are 1.95 Å. Both Li(1)-O(2) bond lengths are 1.93 Å. In the second Li site, Li(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted LiO4 tetrahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Be(1)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. Both Li(2)-O(1) bond lengths are 1.91 Å. Both Li(2)-O(2) bond lengths are 2.04 Å. Be(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form BeO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. Both Be(1)-O(1) bond lengths are 1.65 Å. Both Be(1)-O(2) bond lengths are 1.63 Å. Si(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent Be(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. Both Si(1)-O(1) bond lengths are 1.62 Å. Both Si(1)-O(2) bond lengths are 1.64 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Be(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLi2BeSi trigonal pyramids. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Be(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLi2BeSi trigonal pyramids.