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DOE OSTI2020

Materials Data on Yb4As3 by Materials Project

Yb4As3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Yb+2.25+ is bonded to six equivalent As3- atoms to form a mixture of distorted edge, face, and corner-sharing YbAs6 octahedra. The corner-sharing octahedra tilt angles range from 18–49°. There are three shorter (2.97 Å) and three longer (3.19 Å) Yb–As bond lengths. As3- is bonded to eight equivalent Yb+2.25+ atoms to form a mixture of distorted edge, face, and corner-sharing AsYb8 hexagonal bipyramids.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on YbAs by Materials Project

YbAs is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb3+ is bonded to six equivalent As3- atoms to form a mixture of corner and edge-sharing YbAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Yb–As bond lengths are 2.99 Å. As3- is bonded to six equivalent Yb3+ atoms to form a mixture of corner and edge-sharing AsYb6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗