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DOE OSTI2020

Materials Data on HoCdNi4 by Materials Project

HoNi4Cd is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent Cd atoms. All Ho–Ni bond lengths are 2.91 Å. All Ho–Cd bond lengths are 3.04 Å. Ni is bonded to three equivalent Ho, six equivalent Ni, and three equivalent Cd atoms to form a mixture of edge, face, and corner-sharing NiHo3Cd3Ni6 cuboctahedra. There are three shorter (2.46 Å) and three longer (2.50 Å) Ni–Ni bond lengths. All Ni–Cd bond lengths are 2.91 Å. Cd is bonded in a 4-coordinate geometry to four equivalent Ho and twelve equivalent Ni atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ho4CdNi by Materials Project

Ho4NiCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 3-coordinate geometry to three equivalent Ni and three equivalent Cd atoms. All Ho–Ni bond lengths are 2.78 Å. All Ho–Cd bond lengths are 3.39 Å. In the second Ho site, Ho is bonded in a distorted bent 150 degrees geometry to two equivalent Ni and two equivalent Cd atoms. Both Ho–Ni bond lengths are 2.78 Å. Both Ho–Cd bond lengths are 3.45 Å. In the third Ho site, Ho is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Cd atoms. Both Ho–Ni bond lengths are 3.44 Å. Both Ho–Cd bond lengths are 3.21 Å. Ni is bonded in a 6-coordinate geometry to nine Ho atoms. Cd is bonded to nine Ho and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdHo9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.10 Å.

36 MATERIALS SCIENCE↗