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DOE OSTI2020

Materials Data on OsOF5 by Materials Project

OsOF5 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four OsOF5 clusters. Os7+ is bonded in an octahedral geometry to one O2- and five F1- atoms. The Os–O bond length is 1.69 Å. There is four shorter (1.88 Å) and one longer (1.91 Å) Os–F bond length. O2- is bonded in a single-bond geometry to one Os7+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Os7+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Os7+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Os7+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on OsOF4 by Materials Project

OsOF4 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two OsOF4 ribbons oriented in the (0, 0, 1) direction. Os6+ is bonded to one O2- and five F1- atoms to form corner-sharing OsOF5 octahedra. The corner-sharing octahedral tilt angles are 41°. The Os–O bond length is 1.68 Å. There are a spread of Os–F bond distances ranging from 1.88–2.10 Å. O2- is bonded in a single-bond geometry to one Os6+ atom. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Os6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Os6+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Os6+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Os6+ atom.

36 MATERIALS SCIENCE↗