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DOE OSTI2020

Materials Data on YbClF by Materials Project

YbClF is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Yb2+ is bonded in a 9-coordinate geometry to five equivalent Cl1- and four equivalent F1- atoms. There are four shorter (2.92 Å) and one longer (3.14 Å) Yb–Cl bond lengths. All Yb–F bond lengths are 2.31 Å. Cl1- is bonded in a 5-coordinate geometry to five equivalent Yb2+ atoms. F1- is bonded to four equivalent Yb2+ atoms to form a mixture of edge and corner-sharing FYb4 tetrahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Yb2Cl2F by Materials Project

Yb2Cl2F is alpha Niobium phosphide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Yb2Cl2F cluster. Yb is bonded in a linear geometry to one Cl and one F atom. The Yb–Cl bond length is 2.43 Å. The Yb–F bond length is 2.15 Å. Cl is bonded in a single-bond geometry to one Yb atom. F is bonded in a linear geometry to two equivalent Yb atoms.

36 MATERIALS SCIENCE↗