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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ErInPd2 by Materials Project

ErPd2In 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 Pd atoms. All Er–Pd bond lengths are 2.93 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent In atoms. All Pd–In bond lengths are 2.93 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2InPd2 by Materials Project

Er2Pd2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Er is bonded in a 6-coordinate geometry to six equivalent Pd and four equivalent In atoms. There are two shorter (2.84 Å) and four longer (2.98 Å) Er–Pd bond lengths. All Er–In bond lengths are 3.39 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Er, one Pd, and two equivalent In atoms. The Pd–Pd bond length is 2.79 Å. Both Pd–In bond lengths are 3.03 Å. In is bonded to eight equivalent Er and four equivalent Pd atoms to form a mixture of face and corner-sharing InEr8Pd4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErInPd by Materials Project

ErPdIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to five Pd and six equivalent In atoms. There are four shorter (3.02 Å) and one longer (3.14 Å) Er–Pd bond lengths. There are two shorter (3.19 Å) and four longer (3.34 Å) Er–In bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent In atoms. All Pd–In bond lengths are 2.77 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent In atoms. All Pd–In bond lengths are 2.89 Å. In is bonded in a 10-coordinate geometry to six equivalent Er and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErIn2Pd by Materials Project

ErPdIn2 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 2-coordinate geometry to four Pd and nine In atoms. There are a spread of Er–Pd bond distances ranging from 3.08–3.68 Å. There are a spread of Er–In bond distances ranging from 3.14–3.46 Å. In the second Er site, Er is bonded in a 3-coordinate geometry to four Pd and eight In atoms. There are a spread of Er–Pd bond distances ranging from 3.06–3.26 Å. There are a spread of Er–In bond distances ranging from 3.19–3.55 Å. In the third Er site, Er is bonded in a 12-coordinate geometry to four equivalent Pd and eight In atoms. All Er–Pd bond lengths are 3.23 Å. There are four shorter (3.28 Å) and four longer (3.35 Å) Er–In bond lengths. In the fourth Er site, Er is bonded in a 4-coordinate geometry to four equivalent Pd and eight In atoms. All Er–Pd bond lengths are 2.96 Å. There are four shorter (3.34 Å) and four longer (3.37 Å) Er–In bond lengths. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 10-coordinate geometry to four Er and six In atoms. There are a spread of Pd–In bond distances ranging from 2.78–2.90 Å. In the second Pd site, Pd is bonded in a 8-coordinate geometry to two equivalent Er and eight In atoms. There are four shorter (2.81 Å) and four longer (2.86 Å) Pd–In bond lengths. In the third Pd site, Pd is bonded in a 10-coordinate geometry to five Er and five In atoms. There are two shorter (2.81 Å) and three longer (2.87 Å) Pd–In bond lengths. There are four inequivalent In sites. In the first In site, In is bonded in a 11-coordinate geometry to six Er, three Pd, and two equivalent In atoms. Both In–In bond lengths are 3.17 Å. In the second In site, In is bonded in a 3-coordinate geometry to five Er and three Pd atoms. In the third In site, In is bonded in a 7-coordinate geometry to four Er, three Pd, and one In atom. In the fourth In site, In is bonded in a 3-coordinate geometry to two equivalent Er and three Pd atoms.

36 MATERIALS SCIENCE↗