Li4OsH6 crystallizes in the trigonal R-3c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to six equivalent H(1) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to six equivalent H(1) atoms. Os(1) is bonded in an octahedral geometry to six equivalent H(1) atoms. H(1) is bonded to one Li(1), three equivalent Li(2), and one Os(1) atom to form a mixture of distorted face and corner-sharing HLi4Os square pyramids.
Li4OsH6 crystallizes in the trigonal R-3c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to six equivalent H(1) atoms. All Li(1)-H(1) bond lengths are 2.07 Å. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to six equivalent H(1) atoms. There are a spread of Li(2)-H(1) bond distances ranging from 2.11-2.21 Å. Os(1) is bonded in an octahedral geometry to six equivalent H(1) atoms. All Os(1)-H(1) bond lengths are 1.72 Å. H(1) is bonded to one Li(1), three equivalent Li(2), and one Os(1) atom to form a mixture of distorted face and corner-sharing HLi4Os square pyramids.