Materials Data on K5Hg7 by Materials Project
K5Hg7 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are five inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to eight Hg atoms. There are a spread of K–Hg bond distances ranging from 3.56–3.85 Å. In the second K site, K is bonded in a 8-coordinate geometry to eight Hg atoms. There are a spread of K–Hg bond distances ranging from 3.70–3.78 Å. In the third K site, K is bonded in a 2-coordinate geometry to eight Hg atoms. There are a spread of K–Hg bond distances ranging from 3.56–3.93 Å. In the fourth K site, K is bonded in a 8-coordinate geometry to twelve Hg atoms. There are a spread of K–Hg bond distances ranging from 3.70–4.06 Å. In the fifth K site, K is bonded in a 10-coordinate geometry to ten Hg atoms. There are a spread of K–Hg bond distances ranging from 3.58–3.81 Å. There are four inequivalent Hg sites. In the first Hg site, Hg is bonded in a 10-coordinate geometry to seven K and three Hg atoms. There are a spread of Hg–Hg bond distances ranging from 3.10–3.19 Å. In the second Hg site, Hg is bonded in a 10-coordinate geometry to eight K and two equivalent Hg atoms. Both Hg–Hg bond lengths are 3.33 Å. In the third Hg site, Hg is bonded in a 1-coordinate geometry to six K and three Hg atoms. There are one shorter (3.12 Å) and one longer (3.23 Å) Hg–Hg bond lengths. In the fourth Hg site, Hg is bonded in a 10-coordinate geometry to six K and four Hg atoms. The Hg–Hg bond length is 3.09 Å.