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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ErInCu by Materials Project

ErCuIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Cu and six equivalent In atoms. There are four shorter (2.98 Å) and one longer (3.04 Å) Er–Cu bond lengths. There are two shorter (3.17 Å) and four longer (3.31 Å) Er–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 Er and three equivalent In atoms. All Cu–In bond lengths are 2.80 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent In atoms. All Cu–In bond lengths are 2.73 Å. In is bonded in a 10-coordinate geometry to six equivalent Er and four Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErInCu2 by Materials Project

ErCu2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent Cu and six equivalent In atoms. All Er–Cu bond lengths are 2.86 Å. All Er–In bond lengths are 3.30 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent In atoms. All Cu–In bond lengths are 2.86 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Er and eight equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2InCu2 by Materials Project

Er2Cu2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Er is bonded in a 6-coordinate geometry to six equivalent Cu and four equivalent In atoms. There are two shorter (2.86 Å) and four longer (2.89 Å) Er–Cu bond lengths. All Er–In bond lengths are 3.34 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Er, one Cu, and two equivalent In atoms. The Cu–Cu bond length is 2.55 Å. Both Cu–In bond lengths are 3.04 Å. In is bonded to eight equivalent Er and four equivalent Cu atoms to form a mixture of corner and face-sharing InEr8Cu4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2In3Cu by Materials Project

Er2CuIn3 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 9-coordinate geometry to three equivalent Cu and nine In atoms. All Er–Cu bond lengths are 3.04 Å. There are a spread of Er–In bond distances ranging from 3.14–3.65 Å. In the second Er site, Er is bonded in a 9-coordinate geometry to three equivalent Cu and nine In atoms. All Er–Cu bond lengths are 3.41 Å. There are a spread of Er–In bond distances ranging from 3.14–3.65 Å. Cu is bonded in a 10-coordinate geometry to six Er and four In atoms. There are three shorter (2.76 Å) and one longer (2.91 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 Er, three equivalent Cu, and one In atom. The In–In bond length is 3.18 Å. In the second In site, In is bonded in a 10-coordinate geometry to six Er 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 Er, one Cu, and three equivalent In atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErInCu4 by Materials Project

ErCu4In crystallizes in the cubic F-43m space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve equivalent Cu and four equivalent In atoms. All Er–Cu bond lengths are 2.99 Å. All Er–In bond lengths are 3.12 Å. Cu is bonded to three equivalent Er, six equivalent Cu, and three equivalent In atoms to form a mixture of edge, face, and corner-sharing CuEr3In3Cu6 cuboctahedra. All Cu–Cu bond lengths are 2.55 Å. All Cu–In bond lengths are 2.99 Å. In is bonded in a 4-coordinate geometry to four equivalent Er and twelve equivalent Cu atoms.

36 MATERIALS SCIENCE↗