Materials Data on HfTe3 by Materials Project
HfTe3 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one HfTe3 sheet oriented in the (0, 0, 1) direction. Hf4+ is bonded in a 8-coordinate geometry to eight Te+1.33- atoms. There are a spread of Hf–Te bond distances ranging from 2.96–3.14 Å. There are three inequivalent Te+1.33- sites. In the first Te+1.33- site, Te+1.33- is bonded in a 4-coordinate geometry to four equivalent Hf4+ atoms. In the second Te+1.33- site, Te+1.33- is bonded in a 2-coordinate geometry to two equivalent Hf4+ atoms. In the third Te+1.33- site, Te+1.33- is bonded in a 2-coordinate geometry to two equivalent Hf4+ atoms.
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