Materials Data on K3ReH6 by Materials Project
K3ReH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 12-coordinate geometry to twelve equivalent H1- atoms. All K–H bond lengths are 3.08 Å. In the second K1+ site, K1+ is bonded to six equivalent H1- atoms to form KH6 octahedra that share corners with six equivalent ReH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All K–H bond lengths are 2.54 Å. Re3+ is bonded to six equivalent H1- atoms to form ReH6 octahedra that share corners with six equivalent KH6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Re–H bond lengths are 1.79 Å. H1- is bonded in a linear geometry to five K1+ and one Re3+ atom.