Materials Data on Dy2Ga5Cu12 by Materials Project
Dy2Cu12Ga5 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Dy is bonded in a 10-coordinate geometry to fifteen Cu and four Ga atoms. There are a spread of Dy–Cu bond distances ranging from 3.01–3.35 Å. There are one shorter (3.11 Å) and three longer (3.39 Å) Dy–Ga bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Dy, six Cu, and four Ga atoms. There are a spread of Cu–Cu bond distances ranging from 2.56–2.72 Å. There are two shorter (2.51 Å) and two longer (3.00 Å) Cu–Ga bond lengths. In the second Cu site, Cu is bonded to three equivalent Dy, six Cu, and three Ga atoms to form a mixture of distorted edge, face, and corner-sharing CuDy3Ga3Cu6 cuboctahedra. Both Cu–Cu bond lengths are 2.47 Å. There are two shorter (2.55 Å) and one longer (2.75 Å) Cu–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Dy, eight Cu, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.65 Å. In the second Ga site, Ga is bonded in a 8-coordinate geometry to one Dy, nine Cu, and four Ga atoms. The Ga–Ga bond length is 2.52 Å.