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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on YbOF by Materials Project

YbOF crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Yb3+ is bonded in a distorted body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. There are a spread of Yb–O bond distances ranging from 2.34–2.49 Å. There are two shorter (2.26 Å) and two longer (2.33 Å) Yb–F bond lengths. O2- is bonded in a 5-coordinate geometry to four equivalent Yb3+ and one O2- atom. The O–O bond length is 1.52 Å. F1- is bonded to four equivalent Yb3+ atoms to form a mixture of corner and edge-sharing FYb4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb3(OF5)2 by Materials Project

Yb3F10O2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional and consists of sixteen water molecules and one Yb3F10 framework. In the Yb3F10 framework, there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of Yb–F bond distances ranging from 2.22–2.33 Å. In the second Yb site, Yb is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of Yb–F bond distances ranging from 2.28–2.37 Å. There are four inequivalent F sites. In the first F site, F is bonded in a distorted bent 120 degrees geometry to two equivalent Yb atoms. In the second F site, F is bonded in a trigonal non-coplanar geometry to three Yb atoms. In the third F site, F is bonded in a trigonal planar geometry to three Yb atoms. In the fourth F site, F is bonded in a bent 120 degrees geometry to two Yb atoms.

36 MATERIALS SCIENCE↗