LiNaCO3 crystallizes in the hexagonal P-62m space group. Na(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, and edges with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 7°. 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 Li(1)O4 tetrahedra and edges with four equivalent Na(1)O6 octahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. In the second C site, C(2) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), two equivalent Li(1), and one C(2) atom to form a mixture of distorted corner and edge-sharing ONa2Li2C trigonal bipyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Na(1), one Li(1), and one C(1) atom.
LiNaCO3 crystallizes in the hexagonal P-62m space group. Na(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra, edges with two equivalent Na(1)O6 octahedra, and edges with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 7°. Both Na(1)-O(1) bond lengths are 2.52 Å. All Na(1)-O(2) bond lengths are 2.43 Å. 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 Li(1)O4 tetrahedra and edges with four equivalent Na(1)O6 octahedra. Both Li(1)-O(1) bond lengths are 2.05 Å. Both Li(1)-O(2) bond lengths are 1.94 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to three equivalent O(2) atoms. All C(1)-O(2) bond lengths are 1.30 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. All C(2)-O(1) bond lengths are 1.30 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), two equivalent Li(1), and one C(2) atom to form a mixture of distorted corner and edge-sharing ONa2Li2C trigonal bipyramids. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Na(1), one Li(1), and one C(1) atom.