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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PrInAu2 by Materials Project

Au2PrIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Pr–Au bond lengths are 3.11 Å. Au is bonded in a body-centered cubic geometry to four equivalent Pr and four equivalent In atoms. All Au–In bond lengths are 3.11 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr(In2Au)2 by Materials Project

Pr(AuIn2)2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 8-coordinate geometry to four Au and ten In atoms. There are a spread of Pr–Au bond distances ranging from 3.46–3.55 Å. There are a spread of Pr–In bond distances ranging from 3.34–3.76 Å. In the second Pr site, Pr is bonded in a 11-coordinate geometry to four Au and ten In atoms. There are a spread of Pr–Au bond distances ranging from 3.46–3.55 Å. There are a spread of Pr–In bond distances ranging from 3.34–3.76 Å. There are four inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Au–In bond distances ranging from 2.83–3.07 Å. In the second Au site, Au is bonded in a 7-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Au–In bond distances ranging from 2.85–2.91 Å. In the third Au site, Au is bonded in a 9-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Au–In bond distances ranging from 2.82–3.07 Å. In the fourth Au site, Au is bonded in a 7-coordinate geometry to two equivalent Pr and seven In atoms. There are a spread of Au–In bond distances ranging from 2.84–2.91 Å. There are eight inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three Pr and three Au atoms. In the second In site, In is bonded in a 3-coordinate geometry to three Pr and three Au atoms. In the third In site, In is bonded to one Pr and four Au atoms to form a mixture of distorted edge and corner-sharing InPrAu4 tetrahedra. In the fourth In site, In is bonded in a 4-coordinate geometry to three Pr and four Au atoms. In the fifth In site, In is bonded in a 4-coordinate geometry to three Pr and four Au atoms. In the sixth In site, In is bonded in a 3-coordinate geometry to three Pr and three Au atoms. In the seventh In site, In is bonded to one Pr and four Au atoms to form a mixture of distorted edge and corner-sharing InPrAu4 tetrahedra. In the eighth In site, In is bonded in a 3-coordinate geometry to three Pr and three Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrInAu by Materials Project

PrAuIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to five Au and six equivalent In atoms. There are four shorter (3.19 Å) and one longer (3.24 Å) Pr–Au bond lengths. There are two shorter (3.40 Å) and four longer (3.55 Å) Pr–In bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent In atoms. All Au–In bond lengths are 2.90 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent In atoms. All Au–In bond lengths are 3.00 Å. In is bonded in a 4-coordinate geometry to six equivalent Pr and four Au atoms.

36 MATERIALS SCIENCE↗