Materials Data on Ta3(InS3)2 by Materials Project

Abstract

Ta3(InS3)2 crystallizes in the trigonal R32 space group. The structure is three-dimensional. there are two inequivalent Ta+3.33+ sites. In the first Ta+3.33+ site, Ta+3.33+ is bonded to six equivalent S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. All Ta–S bond lengths are 2.49 Å. In the second Ta+3.33+ site, Ta+3.33+ is bonded to six equivalent S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. All Ta–S bond lengths are 2.49 Å. In1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All In–S bond lengths are 3.15 Å. S2- is bonded in a 5-coordinate geometry to three Ta+3.33+ and two equivalent In1+ atoms.