Materials Data on Rb5Hg19 by Materials Project
Rb5Hg19 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to sixteen Hg atoms. There are eight shorter (3.91 Å) and eight longer (4.18 Å) Rb–Hg bond lengths. In the second Rb site, Rb is bonded in a 12-coordinate geometry to fifteen Hg atoms. There are a spread of Rb–Hg bond distances ranging from 3.79–4.25 Å. There are four inequivalent Hg sites. In the first Hg site, Hg is bonded in a 9-coordinate geometry to four Rb and five Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.08–3.23 Å. In the second Hg site, Hg is bonded in a 8-coordinate geometry to four equivalent Rb and four equivalent Hg atoms. In the third Hg site, Hg is bonded in a 10-coordinate geometry to four Rb and six Hg atoms. All Hg–Hg bond lengths are 3.31 Å. In the fourth Hg site, Hg is bonded in a distorted cuboctahedral geometry to four equivalent Rb and eight equivalent Hg atoms.