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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on LuCu5 by Materials Project

LuCu5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to sixteen Cu atoms. There are twelve shorter (2.89 Å) and four longer (3.02 Å) Lu–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Lu and nine Cu atoms to form a mixture of distorted face, edge, and corner-sharing CuLu3Cu9 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.45–2.89 Å. In the second Cu site, Cu is bonded in a 4-coordinate geometry to four equivalent Lu and twelve equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuCu2 by Materials Project

LuCu2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to twelve equivalent Cu atoms. There are a spread of Lu–Cu bond distances ranging from 2.91–3.04 Å. Cu is bonded in a 10-coordinate geometry to six equivalent Lu and four equivalent Cu atoms. There are three shorter (2.45 Å) and one longer (2.68 Å) Cu–Cu bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu6Cu23 by Materials Project

Lu6Cu23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a 12-coordinate geometry to twelve Cu atoms. There are a spread of Lu–Cu bond distances ranging from 2.86–3.02 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Lu and nine Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.44–2.63 Å. In the second Cu site, Cu is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Cu–Cu bond lengths are 2.51 Å. In the third Cu site, Cu is bonded to four equivalent Lu and eight Cu atoms to form a mixture of corner and face-sharing CuLu4Cu8 cuboctahedra. All Cu–Cu bond lengths are 2.61 Å. In the fourth Cu site, Cu is bonded in a 3-coordinate geometry to three equivalent Lu and ten Cu atoms. All Cu–Cu bond lengths are 2.90 Å.

36 MATERIALS SCIENCE↗