Materials Data on TaInS2 by Materials Project

TaInS2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta3+ is bonded to six equivalent S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. All Ta–S bond lengths are 2.50 Å. In1+ is bonded in a distorted hexagonal planar geometry to six equivalent S2- atoms. All In–S bond lengths are 3.25 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Ta3+ and three equivalent In1+ atoms.