Materials Data on K5Sb4 by Materials Project

Abstract

K5Sb4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are five inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six Sb+1.25- atoms. There are a spread of K–Sb bond distances ranging from 3.57–4.01 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five Sb+1.25- atoms. There are a spread of K–Sb bond distances ranging from 3.55–3.84 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six Sb+1.25- atoms. There are a spread of K–Sb bond distances ranging from 3.46–3.70 Å. In the fourth K1+ site, K1+ is bonded in a 5-coordinate geometry to five Sb+1.25- atoms. There are a spread of K–Sb bond distances ranging from 3.55–3.87 Å. In the fifth K1+ site, K1+ is bonded in a 6-coordinate geometry to six Sb+1.25- atoms. There are a spread of K–Sb bond distances ranging from 3.56–4.00 Å. There are four inequivalent Sb+1.25- sites. In the first Sb+1.25- site, Sb+1.25- is bonded in a 8-coordinate geometry to six K1+ and two Sb+1.25- atoms. There are one shorter (2.83 Å) and one longer (2.88 Å) Sb–Sb bond lengths. In the second Sb+1.25- site, Sb+1.25- is bonded in a 9-coordinate geometry to eight K1+ and one Sb+1.25- atom. The Sb–Sb bond length is 2.83 Å. In the third Sb+1.25- site, Sb+1.25- is bonded in a 9-coordinate geometry to eight K1+ and one Sb+1.25- atom. In the fourth Sb+1.25- site, Sb+1.25- is bonded in a 8-coordinate geometry to six K1+ and two Sb+1.25- atoms.