LiOsO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Os(1) is bonded to six equivalent O(1) atoms to form corner-sharing OsO6 octahedra. The corner-sharing octahedral tilt angles are 40°. O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Os(1) atoms.
LiOsO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. There are three shorter (1.93 Å) and three longer (2.34 Å) Li(1)-O(1) bond lengths. Os(1) is bonded to six equivalent O(1) atoms to form corner-sharing OsO6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are three shorter (1.94 Å) and three longer (1.96 Å) Os(1)-O(1) bond lengths. O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1) and two equivalent Os(1) atoms.