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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PrGePt by Materials Project

PrPtGe crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to six Pt and six Ge atoms. There are a spread of Pr–Pt bond distances ranging from 3.03–3.25 Å. There are a spread of Pr–Ge bond distances ranging from 3.13–3.32 Å. In the second Pr site, Pr is bonded in a 12-coordinate geometry to six Pt and six Ge atoms. There are two shorter (3.17 Å) and four longer (3.21 Å) Pr–Pt bond lengths. There are two shorter (3.25 Å) and four longer (3.29 Å) Pr–Ge bond lengths. In the third Pr site, Pr is bonded in a 12-coordinate geometry to six Pt and six Ge atoms. There are four shorter (3.31 Å) and two longer (3.32 Å) Pr–Pt bond lengths. There are four shorter (3.10 Å) and two longer (3.17 Å) Pr–Ge bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to six Pr, one Pt, and three Ge atoms. The Pt–Pt bond length is 3.21 Å. There are two shorter (2.60 Å) and one longer (2.63 Å) Pt–Ge bond lengths. In the second Pt site, Pt is bonded in a 10-coordinate geometry to six Pr and four Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.61–2.94 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Pr and four Pt atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to six Pr, three Pt, and one Ge atom. The Ge–Ge bond length is 2.79 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3(Ge3Pt2)2 by Materials Project

Pr3Pt4Ge6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 8-coordinate geometry to six Pt and eight Ge atoms. There are a spread of Pr–Pt bond distances ranging from 3.30–3.33 Å. There are a spread of Pr–Ge bond distances ranging from 3.13–3.18 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to six Pt and nine Ge atoms. There are a spread of Pr–Pt bond distances ranging from 3.39–3.46 Å. There are a spread of Pr–Ge bond distances ranging from 3.29–3.48 Å. In the third Pr site, Pr is bonded in a 2-coordinate geometry to six Pt and nine Ge atoms. There are four shorter (3.38 Å) and two longer (3.42 Å) Pr–Pt bond lengths. There are a spread of Pr–Ge bond distances ranging from 3.31–3.50 Å. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to five Pr and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.54–2.78 Å. In the second Pt site, Pt is bonded in a 5-coordinate geometry to four Pr and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.52–2.57 Å. In the third Pt site, Pt is bonded in a 5-coordinate geometry to four Pr and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.49–2.58 Å. In the fourth Pt site, Pt is bonded in a 10-coordinate geometry to five Pr and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.54–2.77 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four Pr and four Pt atoms. In the second Ge site, Ge is bonded in a distorted trigonal planar geometry to four Pr and three Pt atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Pr and three Pt atoms. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to four Pr, three Pt, and one Ge atom. The Ge–Ge bond length is 2.67 Å. In the fifth Ge site, Ge is bonded in a 8-coordinate geometry to four Pr, three Pt, and one Ge atom. In the sixth Ge site, Ge is bonded in a 4-coordinate geometry to four Pr and four Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrGe2Pt by Materials Project

PrPtGe2 crystallizes in the orthorhombic Immm 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 equivalent Pt and ten Ge atoms. All Pr–Pt bond lengths are 3.35 Å. There are four shorter (3.32 Å) and six longer (3.46 Å) Pr–Ge bond lengths. In the second Pr site, Pr is bonded in a 8-coordinate geometry to six equivalent Pt and eight Ge atoms. All Pr–Pt bond lengths are 3.30 Å. There are four shorter (3.07 Å) and four longer (3.10 Å) Pr–Ge bond lengths. Pt is bonded in a 10-coordinate geometry to five Pr and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.53–2.69 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Pr, two equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.49 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Pr, two equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.49 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Pr, three equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.70 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr(Ge3Pt)4 by Materials Project

PrPt4Ge12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Pr is bonded to twelve equivalent Ge atoms to form PrGe12 cuboctahedra that share faces with eight equivalent PtGe6 octahedra. All Pr–Ge bond lengths are 3.36 Å. Pt is bonded to six equivalent Ge atoms to form PtGe6 octahedra that share corners with six equivalent PtGe6 octahedra and faces with two equivalent PrGe12 cuboctahedra. The corner-sharing octahedral tilt angles are 60°. All Pt–Ge bond lengths are 2.52 Å. Ge is bonded in a 2-coordinate geometry to one Pr, two equivalent Pt, and two equivalent Ge atoms. There are one shorter (2.54 Å) and one longer (2.65 Å) Ge–Ge bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr(GePt)2 by Materials Project

Pr(PtGe)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to eight Pt and eight Ge atoms. There are a spread of Pr–Pt bond distances ranging from 3.30–3.44 Å. There are a spread of Pr–Ge bond distances ranging from 3.27–3.42 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to four equivalent Pr and five Ge atoms. There are one shorter (2.48 Å) and four longer (2.53 Å) Pt–Ge bond lengths. In the second Pt site, Pt is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.56–2.58 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Pr and five Pt atoms. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗