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DOE OSTI2020

Materials Data on YbAu3 by Materials Project

YbAu3 is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Yb3+ is bonded to twelve Au1- atoms to form a mixture of face, edge, and corner-sharing YbAu12 cuboctahedra. There are a spread of Yb–Au bond distances ranging from 2.92–3.08 Å. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 12-coordinate geometry to four equivalent Yb3+ atoms. In the second Au1- site, Au1- is bonded in a distorted see-saw-like geometry to four equivalent Yb3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on YbAu3 by Materials Project

YbAu3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb3+ is bonded to twelve equivalent Au1- atoms to form a mixture of corner and face-sharing YbAu12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.07 Å) Yb–Au bond lengths. Au1- is bonded in a distorted see-saw-like geometry to four equivalent Yb3+ atoms.

36 MATERIALS SCIENCE↗