Materials Data on KPS3 by Materials Project
KPS3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. K1+ is bonded in a distorted q6 geometry to ten S2- atoms. There are a spread of K–S bond distances ranging from 3.49–3.77 Å. P5+ is bonded to four S2- atoms to form edge-sharing PS4 tetrahedra. There are two shorter (1.98 Å) and two longer (2.16 Å) P–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to four equivalent K1+ and one P5+ atom. In the second S2- site, S2- is bonded in a distorted L-shaped geometry to two equivalent K1+ and two equivalent P5+ atoms.
36 MATERIALS SCIENCE↗