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DOE OSTI2020

Materials Data on HoCuPb by Materials Project

HoCuPb crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to three equivalent Cu and six equivalent Pb atoms. All Ho–Cu bond lengths are 2.94 Å. There are three shorter (3.16 Å) and three longer (3.31 Å) Ho–Pb bond lengths. Cu is bonded in a 10-coordinate geometry to three equivalent Ho and four equivalent Pb atoms. There are three shorter (2.76 Å) and one longer (2.95 Å) Cu–Pb bond lengths. Pb is bonded in a 10-coordinate geometry to six equivalent Ho and four equivalent Cu atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on HoCuPb by Materials Project

HoCuPb is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho is bonded to six equivalent Cu and six equivalent Pb atoms to form a mixture of edge and face-sharing HoCu6Pb6 cuboctahedra. All Ho–Cu bond lengths are 3.24 Å. All Ho–Pb bond lengths are 3.24 Å. Cu is bonded in a 3-coordinate geometry to six equivalent Ho and three equivalent Pb atoms. All Cu–Pb bond lengths are 2.65 Å. Pb is bonded in a 3-coordinate geometry to six equivalent Ho and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ho5CuPb3 by Materials Project

Ho5CuPb3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 7-coordinate geometry to two equivalent Cu and five equivalent Pb atoms. Both Ho–Cu bond lengths are 2.84 Å. There are a spread of Ho–Pb bond distances ranging from 3.16–3.61 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Ho–Pb bond lengths are 3.27 Å. Cu is bonded to six equivalent Ho atoms to form face-sharing CuHo6 octahedra. Pb is bonded in a 9-coordinate geometry to nine Ho atoms.

36 MATERIALS SCIENCE↗