Li3RhH4 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to two equivalent H(1) and three equivalent H(2) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent H(2) and four equivalent H(1) atoms. Rh(1) is bonded in a distorted square co-planar geometry to two equivalent H(1) and two equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and one Rh(1) atom. In the second H site, H(2) is bonded to one Li(2), three equivalent Li(1), and one Rh(1) atom to form a mixture of distorted edge and corner-sharing HLi4Rh square pyramids.
Li3RhH4 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to two equivalent H(1) and three equivalent H(2) atoms. There is one shorter (1.90 Å) and one longer (2.06 Å) Li(1)-H(1) bond length. There are two shorter (1.90 Å) and one longer (2.21 Å) Li(1)-H(2) bond length. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to two equivalent H(2) and four equivalent H(1) atoms. Both Li(2)-H(2) bond lengths are 1.99 Å. All Li(2)-H(1) bond lengths are 2.22 Å. Rh(1) is bonded in a distorted square co-planar geometry to two equivalent H(1) and two equivalent H(2) atoms. Both Rh(1)-H(1) bond lengths are 1.66 Å. Both Rh(1)-H(2) bond lengths are 1.66 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and one Rh(1) atom. In the second H site, H(2) is bonded to one Li(2), three equivalent Li(1), and one Rh(1) atom to form a mixture of distorted edge and corner-sharing HLi4Rh square pyramids.