Materials Data on Ta2InS4 by Materials Project
Ta2InS4 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ta+3.50+ is bonded to six S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. There are a spread of Ta–S bond distances ranging from 2.47–2.50 Å. In1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are two shorter (3.09 Å) and four longer (3.15 Å) In–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to three equivalent Ta+3.50+ and two equivalent In1+ atoms. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Ta+3.50+ and one In1+ atom.
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