Materials Data on KAuS5 by Materials Project
KAuS5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S+0.40- atoms. There are four shorter (3.52 Å) and four longer (3.54 Å) K–S bond lengths. In the second K1+ site, K1+ is bonded in a 10-coordinate geometry to ten S+0.40- atoms. There are a spread of K–S bond distances ranging from 3.30–3.77 Å. Au1+ is bonded in a distorted linear geometry to two equivalent S+0.40- atoms. Both Au–S bond lengths are 2.33 Å. There are three inequivalent S+0.40- sites. In the first S+0.40- site, S+0.40- is bonded in a 2-coordinate geometry to one K1+ and two equivalent S+0.40- atoms. Both S–S bond lengths are 2.08 Å. In the second S+0.40- site, S+0.40- is bonded in a 4-coordinate geometry to two K1+ and two S+0.40- atoms. The S–S bond length is 2.08 Å. In the third S+0.40- site, S+0.40- is bonded to two K1+, one Au1+, and one S+0.40- atom to form distorted corner-sharing SK2AuS tetrahedra.