Materials Data on K3GeS3 by Materials Project
K3GeS3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of K–S bond distances ranging from 3.27–3.43 Å. In the second K1+ site, K1+ is bonded to six S2- atoms to form a mixture of distorted corner and edge-sharing KS6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of K–S bond distances ranging from 3.22–3.57 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of K–S bond distances ranging from 3.18–3.40 Å. Ge3+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. All Ge–S bond lengths are 2.25 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 7-coordinate geometry to six K1+ and one Ge3+ atom. In the second S2- site, S2- is bonded in a 7-coordinate geometry to six K1+ and one Ge3+ atom.