Li5Pt2H9 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one H(2) and four equivalent H(1) atoms. In the second Li site, Li(2) is bonded in a body-centered cubic geometry to eight equivalent H(1) atoms. Pt(1) is bonded to one H(2) and four equivalent H(1) atoms to form distorted corner-sharing PtH5 square pyramids. There are two inequivalent H sites. In the first H site, H(2) is bonded in an octahedral geometry to four equivalent Li(1) and two equivalent Pt(1) atoms. In the second H site, H(1) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Li(1), and one Pt(1) atom.
Li5Pt2H9 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to one H(2) and four equivalent H(1) atoms. The Li(1)-H(2) bond length is 2.20 Å. There are two shorter (2.11 Å) and two longer (2.12 Å) Li(1)-H(1) bond lengths. In the second Li site, Li(2) is bonded in a body-centered cubic geometry to eight equivalent H(1) atoms. All Li(2)-H(1) bond lengths are 2.29 Å. Pt(1) is bonded to one H(2) and four equivalent H(1) atoms to form distorted corner-sharing PtH5 square pyramids. The Pt(1)-H(2) bond length is 1.85 Å. All Pt(1)-H(1) bond lengths are 1.64 Å. There are two inequivalent H sites. In the first H site, H(2) is bonded in an octahedral geometry to four equivalent Li(1) and two equivalent Pt(1) atoms. In the second H site, H(1) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Li(1), and one Pt(1) atom.