Materials Data on DyCu5 by Materials Project

Abstract

DyCu5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Dy is bonded in a distorted hexagonal planar geometry to eighteen Cu atoms. There are six shorter (2.88 Å) and twelve longer (3.24 Å) Dy–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Dy and nine Cu atoms to form a mixture of distorted edge, face, and corner-sharing CuDy3Cu9 cuboctahedra. There are six shorter (2.52 Å) and three longer (2.88 Å) Cu–Cu bond lengths. In the second Cu site, Cu is bonded to four equivalent Dy and eight Cu atoms to form CuDy4Cu8 cuboctahedra that share corners with twenty-four CuDy3Cu9 cuboctahedra, edges with ten equivalent CuDy4Cu8 cuboctahedra, and faces with twenty-two CuDy3Cu9 cuboctahedra. All Cu–Cu bond lengths are 2.50 Å.