LiCa3OsO6 crystallizes in the trigonal R-3c space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Os(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. O(1) is bonded to one Li(1), four equivalent Ca(1), and one Os(1) atom to form a mixture of distorted face, corner, and edge-sharing OLiCa4Os octahedra. The corner-sharing octahedral tilt angles range from 0-65°.
LiCa3OsO6 crystallizes in the trigonal R-3c space group. Li(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. All Li(1)-O(1) bond lengths are 2.24 Å. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. There are a spread of Ca(1)-O(1) bond distances ranging from 2.32-2.77 Å. Os(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. All Os(1)-O(1) bond lengths are 1.98 Å. O(1) is bonded to one Li(1), four equivalent Ca(1), and one Os(1) atom to form a mixture of distorted face, corner, and edge-sharing OLiCa4Os octahedra. The corner-sharing octahedral tilt angles range from 0-65°.