Materials Data on K(MoS)9 by Materials Project
K(MoS)9 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to nine S atoms. There are three shorter (3.42 Å) and six longer (3.44 Å) K–S bond lengths. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are a spread of Mo–S bond distances ranging from 2.49–2.55 Å. In the second Mo site, Mo is bonded in a distorted see-saw-like geometry to four S atoms. There are a spread of Mo–S bond distances ranging from 2.49–2.55 Å. There are two inequivalent S sites. In the first S site, S is bonded in a distorted pentagonal planar geometry to one K and four Mo atoms. In the second S site, S is bonded in a distorted pentagonal planar geometry to one K and four Mo atoms.