LiAlSiO4 crystallizes in the trigonal R3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(5), one O(6), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with two equivalent Al(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent 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(7) atom to form LiO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with two equivalent Al(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form AlO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. In the second Al site, Al(2) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form AlO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(3), one O(4), one O(6), and one O(7) 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 Al(1)O4 tetrahedra, and corners with two equivalent Al(2)O4 tetrahedra. In the second Si site, Si(2) is bonded to one O(1), one O(2), one O(5), 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 Al(1)O4 tetrahedra, and corners with two equivalent Al(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Al(2), and one Si(2) atom. In the second O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Al(1), and one Si(1) atom. In the third O site, O(7) is bonded in a trigonal planar geometry to one Li(2), one Al(2), and one Si(1) atom. In the fourth O site, O(8) is bonded in a trigonal planar geometry to one Li(1), one Al(1), and one Si(2) atom. In the fifth O site, O(1) is bonded in a trigonal planar geometry to one Li(2), one Al(2), and one Si(2) atom. In the sixth O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Al(1), and one Si(2) atom. In the seventh O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Al(2), and one Si(1) atom. In the eighth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Al(1), and one Si(1) atom.
LiAlSiO4 crystallizes in the trigonal R3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(5), one O(6), and one O(8) atom to form LiO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with two equivalent Al(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The Li(1)-O(3) bond length is 1.93 Å. The Li(1)-O(5) bond length is 1.98 Å. The Li(1)-O(6) bond length is 1.96 Å. The Li(1)-O(8) bond length is 1.95 Å. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form LiO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with two equivalent Al(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The Li(2)-O(1) bond length is 1.99 Å. The Li(2)-O(2) bond length is 1.93 Å. The Li(2)-O(4) bond length is 1.94 Å. The Li(2)-O(7) bond length is 1.99 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form AlO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The Al(1)-O(2) bond length is 1.75 Å. The Al(1)-O(4) bond length is 1.74 Å. The Al(1)-O(6) bond length is 1.75 Å. The Al(1)-O(8) bond length is 1.76 Å. In the second Al site, Al(2) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form AlO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and corners with two equivalent Si(2)O4 tetrahedra. The Al(2)-O(1) bond length is 1.75 Å. The Al(2)-O(3) bond length is 1.76 Å. The Al(2)-O(5) bond length is 1.75 Å. The Al(2)-O(7) bond length is 1.77 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(3), one O(4), one O(6), and one O(7) 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 Al(1)O4 tetrahedra, and corners with two equivalent Al(2)O4 tetrahedra. The Si(1)-O(3) bond length is 1.63 Å. The Si(1)-O(4) bond length is 1.63 Å. The Si(1)-O(6) bond length is 1.62 Å. The Si(1)-O(7) bond length is 1.63 Å. In the second Si site, Si(2) is bonded to one O(1), one O(2), one O(5), 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 Al(1)O4 tetrahedra, and corners with two equivalent Al(2)O4 tetrahedra. The Si(2)-O(1) bond length is 1.63 Å. The Si(2)-O(2) bond length is 1.63 Å. The Si(2)-O(5) bond length is 1.62 Å. The Si(2)-O(8) bond length is 1.63 Å. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Al(2), and one Si(2) atom. In the second O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Al(1), and one Si(1) atom. In the third O site, O(7) is bonded in a trigonal planar geometry to one Li(2), one Al(2), and one Si(1) atom. In the fourth O site, O(8) is bonded in a trigonal planar geometry to one Li(1), one Al(1), and one Si(2) atom. In the fifth O site, O(1) is bonded in a trigonal planar geometry to one Li(2), one Al(2), and one Si(2) atom. In the sixth O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Al(1), and one Si(2) atom. In the seventh O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Al(2), and one Si(1) atom. In the eighth O site, O(4) is bonded in a trigonal planar geometry to one Li(2), one Al(1), and one Si(1) atom.