Materials Data on LaCu13 by Materials Project
LaCu13 crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. La is bonded in a 1-coordinate geometry to twenty-four equivalent Cu atoms. All La–Cu bond lengths are 3.38 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to twelve equivalent Cu atoms to form a mixture of corner and face-sharing CuCu12 cuboctahedra. All Cu–Cu bond lengths are 2.49 Å. In the second Cu site, Cu is bonded to two equivalent La and ten Cu atoms to form distorted CuLa2Cu10 cuboctahedra that share corners with twenty-eight CuCu12 cuboctahedra, edges with eight equivalent CuLa2Cu10 cuboctahedra, and faces with twenty-five CuCu12 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.46–2.71 Å.
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