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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on OsF6 by Materials Project

OsF6 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four osmium hexafluoride molecules. Os6+ is bonded in an octahedral geometry to six F1- atoms. All Os–F bond lengths are 1.87 Å. 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 single-bond geometry to one Os6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Os6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KOsF6 by Materials Project

KOsF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with six equivalent OsF6 octahedra, edges with six equivalent KF12 cuboctahedra, and faces with two equivalent OsF6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are six shorter (2.94 Å) and six longer (3.10 Å) K–F bond lengths. Os5+ is bonded to six equivalent F1- atoms to form OsF6 octahedra that share corners with six equivalent KF12 cuboctahedra and faces with two equivalent KF12 cuboctahedra. All Os–F bond lengths are 1.92 Å. F1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Os5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiOsF6 by Materials Project

LiOsF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent OsF6 octahedra. The corner-sharing octahedral tilt angles are 38°. All Li–F bond lengths are 2.07 Å. Os5+ is bonded to six equivalent F1- atoms to form OsF6 octahedra that share corners with six equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 38°. All Os–F bond lengths are 1.92 Å. F1- is bonded in a bent 150 degrees geometry to one Li1+ and one Os5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on OsF5 by Materials Project

OsF5 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two OsF5 clusters. Os5+ is bonded to six F1- atoms to form corner-sharing OsF6 octahedra. The corner-sharing octahedra tilt angles range from 42–44°. There are a spread of Os–F bond distances ranging from 1.86–2.06 Å. There are ten inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. The F–Os bond length is 1.89 Å. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Os5+ atoms. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. The F–Os bond length is 1.89 Å. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. The F–Os bond length is 1.86 Å. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. The F–Os bond length is 1.86 Å. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Os5+ atom. In the tenth F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Os5+ atoms.

36 MATERIALS SCIENCE↗