Materials Data on BaBAsF10 by Materials Project

Ba(BF4)(AsF6) crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Ba–F bond distances ranging from 2.65–2.86 Å. B3+ is bonded in a tetrahedral geometry to four F1- atoms. All B–F bond lengths are 1.41 Å. As5+ is bonded in an octahedral geometry to six F1- atoms. There is one shorter (1.74 Å) and five longer (1.78 Å) As–F bond length. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Ba2+ and one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Ba2+ and one B3+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Ba2+ and one As5+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one Ba2+ and one B3+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to one Ba2+ and one B3+ atom. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to one Ba2+ and one As5+ atom.