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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on HoInCu by Materials Project

HoCuIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to five Cu and six equivalent In atoms. There are four shorter (2.99 Å) and one longer (3.05 Å) Ho–Cu bond lengths. There are two shorter (3.18 Å) and four longer (3.32 Å) Ho–In bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent In atoms. All Cu–In bond lengths are 2.81 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent In atoms. All Cu–In bond lengths are 2.74 Å. In is bonded in a 10-coordinate geometry to six equivalent Ho and four Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho2In3Cu by Materials Project

Ho2CuIn3 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 9-coordinate geometry to three equivalent Cu and nine In atoms. All Ho–Cu bond lengths are 3.04 Å. There are a spread of Ho–In bond distances ranging from 3.16–3.67 Å. In the second Ho site, Ho is bonded in a 9-coordinate geometry to three equivalent Cu and nine In atoms. All Ho–Cu bond lengths are 3.44 Å. There are a spread of Ho–In bond distances ranging from 3.16–3.67 Å. Cu is bonded in a 10-coordinate geometry to six Ho and four In atoms. There are three shorter (2.76 Å) and one longer (2.93 Å) Cu–In bond lengths. There are three inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to six Ho, three equivalent Cu, and one In atom. The In–In bond length is 3.23 Å. In the second In site, In is bonded in a 10-coordinate geometry to six Ho and four In atoms. All In–In bond lengths are 2.86 Å. In the third In site, In is bonded in a 10-coordinate geometry to six Ho, one Cu, and three equivalent In atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoIn7Cu5 by Materials Project

HoCu5In7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ho is bonded in a 8-coordinate geometry to ten Cu and ten In atoms. There are a spread of Ho–Cu bond distances ranging from 3.54–3.66 Å. There are a spread of Ho–In bond distances ranging from 3.14–3.55 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Ho, three Cu, and seven In atoms. There are a spread of Cu–Cu bond distances ranging from 2.71–2.86 Å. There are a spread of Cu–In bond distances ranging from 2.70–2.97 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Ho, four equivalent Cu, and six In atoms. There are a spread of Cu–In bond distances ranging from 2.75–2.98 Å. There are five inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to one Ho, four equivalent Cu, and five In atoms. There are a spread of In–In bond distances ranging from 3.01–3.17 Å. In the second In site, In is bonded in a 8-coordinate geometry to one Ho, six Cu, and three In atoms. Both In–In bond lengths are 3.32 Å. In the third In site, In is bonded in a 10-coordinate geometry to one Ho, five Cu, and four In atoms. There are a spread of In–In bond distances ranging from 3.04–3.12 Å. In the fourth In site, In is bonded to two equivalent Ho, four equivalent Cu, and six In atoms to form distorted edge-sharing InHo2In6Cu4 cuboctahedra. Both In–In bond lengths are 2.93 Å. In the fifth In site, In is bonded in a 12-coordinate geometry to two equivalent Ho, five Cu, and five In atoms.

36 MATERIALS SCIENCE↗