Li4RhH7S3O13 crystallizes in the trigonal R3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(5) atom. Rh(1) is bonded in a distorted octahedral geometry to three equivalent O(2) and three equivalent O(4) atoms. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) and one O(4) atom. In the third H site, H(3) is bonded in a trigonal planar geometry to three equivalent O(3) atoms. S(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one H(2), and one S(1) atom to form distorted corner-sharing OLi2HS trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Rh(1), and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one H(3), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Li(2), one Rh(1), one H(1), and one H(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to three equivalent Li(2) atoms.
Li4RhH7S3O13 crystallizes in the trigonal R3 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. All Li(1)-O(1) bond lengths are 2.05 Å. All Li(1)-O(2) bond lengths are 2.35 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and one O(5) atom. The Li(2)-O(1) bond length is 2.17 Å. The Li(2)-O(3) bond length is 2.44 Å. The Li(2)-O(4) bond length is 2.14 Å. The Li(2)-O(5) bond length is 1.78 Å. Rh(1) is bonded in a distorted octahedral geometry to three equivalent O(2) and three equivalent O(4) atoms. All Rh(1)-O(2) bond lengths are 2.07 Å. All Rh(1)-O(4) bond lengths are 2.15 Å. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) atom. The H(1)-O(4) bond length is 0.99 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(1) and one O(4) atom. The H(2)-O(1) bond length is 1.73 Å. The H(2)-O(4) bond length is 1.00 Å. In the third H site, H(3) is bonded in a trigonal planar geometry to three equivalent O(3) atoms. All H(3)-O(3) bond lengths are 1.44 Å. S(1) is bonded in a trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. The S(1)-O(1) bond length is 1.56 Å. The S(1)-O(2) bond length is 1.57 Å. The S(1)-O(3) bond length is 1.52 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one H(2), and one S(1) atom to form distorted corner-sharing OLi2HS trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Rh(1), and one S(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(2), one H(3), and one S(1) atom. In the fourth O site, O(4) is bonded in a distorted water-like geometry to one Li(2), one Rh(1), one H(1), and one H(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to three equivalent Li(2) atoms.