LiAlSi2O6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Al(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form AlO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with two equivalent Al(1)O6 octahedra. Si(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with three equivalent Al(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-60°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Al(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLiAl2Si tetrahedra. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Al(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent Si(1) atoms.
LiAlSi2O6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Li(1)-O(1) bond lengths are 2.09 Å. Both Li(1)-O(2) bond lengths are 2.29 Å. Both Li(1)-O(3) bond lengths are 2.27 Å. Al(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form AlO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with two equivalent Al(1)O6 octahedra. Both Al(1)-O(2) bond lengths are 1.83 Å. There are two shorter (1.96 Å) and two longer (2.03 Å) Al(1)-O(1) bond lengths. Si(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form SiO4 tetrahedra that share corners with three equivalent Al(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 31-60°. The Si(1)-O(1) bond length is 1.66 Å. The Si(1)-O(2) bond length is 1.60 Å. There is one shorter (1.64 Å) and one longer (1.65 Å) Si(1)-O(3) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Al(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLiAl2Si tetrahedra. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Al(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent Si(1) atoms.