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DOE OSTI2020

Materials Data on AsCF3 by Materials Project

CAsF3 crystallizes in the tetragonal P4_2/nmc space group. The structure is zero-dimensional and consists of eight (trifluoromethyl)arsine molecules. C4+ is bonded in a distorted trigonal non-coplanar geometry to one As1- and three F1- atoms. The C–As bond length is 2.05 Å. All C–F bond lengths are 1.37 Å. As1- is bonded in a distorted single-bond geometry to one C4+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one C4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one C4+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on AsC18F17 by Materials Project

C3AsF2(CF)15 crystallizes in the orthorhombic Pbcn space group. The structure is zero-dimensional and consists of sixty fluoromethane molecules and four C3AsF2 clusters. In each C3AsF2 cluster, there are two inequivalent C+1.11+ sites. In the first C+1.11+ site, C+1.11+ is bonded in a single-bond geometry to one As3- atom. The C–As bond length is 1.94 Å. In the second C+1.11+ site, C+1.11+ is bonded in a single-bond geometry to one As3- atom. The C–As bond length is 1.93 Å. As3- is bonded in a trigonal bipyramidal geometry to three C+1.11+ and two equivalent F1- atoms. Both As–F bond lengths are 1.83 Å. F1- is bonded in a single-bond geometry to one As3- atom.

36 MATERIALS SCIENCE↗