Materials Data on TaTe4I by Materials Project
TaTe4I crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Ta3+ is bonded in a distorted single-bond geometry to three Te+0.50- atoms. There are a spread of Ta–Te bond distances ranging from 1.64–3.50 Å. There are four inequivalent Te+0.50- sites. In the first Te+0.50- site, Te+0.50- is bonded in a distorted single-bond geometry to one Ta3+ atom. In the second Te+0.50- site, Te+0.50- is bonded in a 4-coordinate geometry to three Te+0.50- and one I1- atom. There are a spread of Te–Te bond distances ranging from 2.83–3.06 Å. The Te–I bond length is 3.59 Å. In the third Te+0.50- site, Te+0.50- is bonded in a distorted single-bond geometry to two Te+0.50- and one I1- atom. The Te–Te bond length is 2.20 Å. The Te–I bond length is 2.35 Å. In the fourth Te+0.50- site, Te+0.50- is bonded in a 5-coordinate geometry to two equivalent Ta3+ and three Te+0.50- atoms. I1- is bonded in a 1-coordinate geometry to two Te+0.50- atoms.