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DOE OSTI2020

Materials Data on YbF3 by Materials Project

YbF3 is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Yb–F bond distances ranging from 2.28–2.40 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Yb3+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent Yb3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on YbF2 by Materials Project

YbF2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Yb2+ is bonded to six equivalent F1- atoms to form a mixture of edge and corner-sharing YbF6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are two shorter (2.23 Å) and four longer (2.25 Å) Yb–F bond lengths. F1- is bonded in a trigonal planar geometry to three equivalent Yb2+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on YbF by Materials Project

YbF is Wurtzite structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded to four F atoms to form corner-sharing YbF4 tetrahedra. There are one shorter (2.33 Å) and three longer (2.37 Å) Yb–F bond lengths. In the second Yb site, Yb is bonded to four F atoms to form corner-sharing YbF4 tetrahedra. There are one shorter (2.34 Å) and three longer (2.37 Å) Yb–F bond lengths. There are two inequivalent F sites. In the first F site, F is bonded to four Yb atoms to form corner-sharing FYb4 tetrahedra. In the second F site, F is bonded to four Yb atoms to form corner-sharing FYb4 tetrahedra.

36 MATERIALS SCIENCE↗