Materials Data on LuAu3 by Materials Project
LuAu3 is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Lu3+ is bonded to twelve Au1- atoms to form a mixture of edge, corner, and face-sharing LuAu12 cuboctahedra. There are a spread of Lu–Au bond distances ranging from 2.97–3.07 Å. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a distorted see-saw-like geometry to four equivalent Lu3+ atoms. In the second Au1- site, Au1- is bonded in a 12-coordinate geometry to four equivalent Lu3+ atoms.
36 MATERIALS SCIENCE↗