LiCH3O3 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing LiO4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one H(3), one O(1), and one O(2) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) and one O(3) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one C(1), and one H(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one H(1), and one H(2) atom.
LiCH3O3 crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form corner-sharing LiO4 tetrahedra. The Li(1)-O(2) bond length is 1.98 Å. The Li(1)-O(3) bond length is 2.01 Å. There is one shorter (1.95 Å) and one longer (1.99 Å) Li(1)-O(1) bond length. C(1) is bonded in a trigonal planar geometry to one H(3), one O(1), and one O(2) atom. The C(1)-H(3) bond length is 1.11 Å. The C(1)-O(1) bond length is 1.27 Å. The C(1)-O(2) bond length is 1.27 Å. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. The H(1)-O(3) bond length is 0.99 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) and one O(3) atom. The H(2)-O(2) bond length is 1.69 Å. The H(2)-O(3) bond length is 1.01 Å. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one C(1), and one H(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one H(1), and one H(2) atom.