Materials Data on HfAs2 by Materials Project
HfAs2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hf4+ is bonded in a 9-coordinate geometry to nine As2- atoms. There are a spread of Hf–As bond distances ranging from 2.77–2.97 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Hf4+ and four As2- atoms. There are two shorter (2.60 Å) and two longer (2.92 Å) As–As bond lengths. In the second As2- site, As2- is bonded in a 7-coordinate geometry to five equivalent Hf4+ and two equivalent As2- atoms.
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