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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Pr12InPt7 by Materials Project

Pr12Pt7In crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 6-coordinate geometry to five Pt and one In atom. There are a spread of Pr–Pt bond distances ranging from 3.00–3.45 Å. The Pr–In bond length is 3.41 Å. In the second Pr site, Pr is bonded in a 2-coordinate geometry to five Pt atoms. There are a spread of Pr–Pt bond distances ranging from 2.87–3.72 Å. In the third Pr site, Pr is bonded in a 4-coordinate geometry to four Pt atoms. There are two shorter (2.95 Å) and two longer (3.14 Å) Pr–Pt bond lengths. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to eight Pr atoms. In the second Pt site, Pt is bonded in a 6-coordinate geometry to nine Pr atoms. In the third Pt site, Pt is bonded in a 8-coordinate geometry to eight equivalent Pr atoms. In is bonded in a body-centered cubic geometry to eight equivalent Pr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrIn3Pt by Materials Project

PrPtIn3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a cuboctahedral geometry to twelve equivalent In atoms. All Pr–In bond lengths are 3.54 Å. In the second Pr site, Pr is bonded in a 8-coordinate geometry to four equivalent Pt and twelve equivalent In atoms. All Pr–Pt bond lengths are 3.57 Å. There are eight shorter (3.49 Å) and four longer (3.57 Å) Pr–In bond lengths. Pt is bonded in a 6-coordinate geometry to three equivalent Pr and six equivalent In atoms. All Pt–In bond lengths are 2.79 Å. In is bonded in a 2-coordinate geometry to four Pr and two equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr(InPt)2 by Materials Project

PrPt2In2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 7-coordinate geometry to seven Pt atoms. There are a spread of Pr–Pt bond distances ranging from 3.04–3.24 Å. In the second Pr site, Pr is bonded in a 1-coordinate geometry to five Pt and nine In atoms. There are a spread of Pr–Pt bond distances ranging from 2.94–3.28 Å. There are a spread of Pr–In bond distances ranging from 3.34–3.58 Å. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to two equivalent Pr, two Pt, and six In atoms. There are one shorter (2.88 Å) and one longer (3.04 Å) Pt–Pt bond lengths. There are a spread of Pt–In bond distances ranging from 2.81–2.96 Å. In the second Pt site, Pt is bonded in a 10-coordinate geometry to three Pr, one Pt, and five In atoms. There are a spread of Pt–In bond distances ranging from 2.89–2.98 Å. In the third Pt site, Pt is bonded in a 9-coordinate geometry to four Pr and five In atoms. There are a spread of Pt–In bond distances ranging from 2.76–2.84 Å. In the fourth Pt site, Pt is bonded in a 10-coordinate geometry to three equivalent Pr, one Pt, and three equivalent In atoms. There are two shorter (2.78 Å) and one longer (2.84 Å) Pt–In bond lengths. There are four inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three equivalent Pr and five Pt atoms. In the second In site, In is bonded in a 4-coordinate geometry to two equivalent Pr and four Pt atoms. In the third In site, In is bonded in a 6-coordinate geometry to one Pr and six Pt atoms. In the fourth In site, In is bonded in a 4-coordinate geometry to three equivalent Pr and four Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr5(In2Pt)2 by Materials Project

Pr5(PtIn2)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 2-coordinate geometry to two equivalent Pt and six In atoms. Both Pr–Pt bond lengths are 2.95 Å. There are a spread of Pr–In bond distances ranging from 3.35–3.59 Å. In the second Pr site, Pr is bonded in a 10-coordinate geometry to four equivalent Pt and six In atoms. There are two shorter (3.04 Å) and two longer (3.11 Å) Pr–Pt bond lengths. There are a spread of Pr–In bond distances ranging from 3.46–3.54 Å. In the third Pr site, Pr is bonded in a distorted body-centered cubic geometry to eight In atoms. There are four shorter (3.38 Å) and four longer (3.51 Å) Pr–In bond lengths. Pt is bonded in a 8-coordinate geometry to six Pr and two In atoms. There are one shorter (2.96 Å) and one longer (3.12 Å) Pt–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 1-coordinate geometry to eight Pr and one Pt atom. In the second In site, In is bonded in a 9-coordinate geometry to eight Pr and one Pt atom.

36 MATERIALS SCIENCE↗