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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PrGe3Rh by Materials Project

PrRhGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to five equivalent Rh and twelve Ge atoms. There are one shorter (3.46 Å) and four longer (3.54 Å) Pr–Rh bond lengths. There are a spread of Pr–Ge bond distances ranging from 3.23–3.48 Å. Rh is bonded in a 5-coordinate geometry to five equivalent Pr and five Ge atoms. There are one shorter (2.41 Å) and four longer (2.46 Å) Rh–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Pr, two equivalent Rh, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.75 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Pr, one Rh, and four equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr(GeRh)2 by Materials Project

PrRh2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Ge atoms. All Pr–Rh bond lengths are 3.38 Å. All Pr–Ge bond lengths are 3.25 Å. Rh is bonded to four equivalent Pr and four equivalent Ge atoms to form a mixture of distorted corner, edge, and face-sharing RhPr4Ge4 tetrahedra. All Rh–Ge bond lengths are 2.48 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Pr, four equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.65 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2Ge5Rh3 by Materials Project

Pr2Rh3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to seven Rh and ten Ge atoms. There are a spread of Pr–Rh bond distances ranging from 3.22–3.58 Å. There are a spread of Pr–Ge bond distances ranging from 3.04–3.34 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to four equivalent Pr and six Ge atoms. There are four shorter (2.55 Å) and two longer (2.70 Å) Rh–Ge bond lengths. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five equivalent Pr and five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.44–2.53 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Rh atoms. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Pr, three Rh, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.69 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Pr, three Rh, and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2GeRh3 by Materials Project

Pr2Rh3Ge crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr is bonded in a 9-coordinate geometry to four equivalent Pr, nine equivalent Rh, and three equivalent Ge atoms. There are one shorter (3.13 Å) and three longer (3.43 Å) Pr–Pr bond lengths. There are three shorter (3.00 Å) and six longer (3.25 Å) Pr–Rh bond lengths. All Pr–Ge bond lengths are 3.33 Å. Rh is bonded to six equivalent Pr, four equivalent Rh, and two equivalent Ge atoms to form distorted RhPr6Ge2Rh4 cuboctahedra that share corners with four equivalent GePr6Rh6 cuboctahedra, corners with fourteen equivalent RhPr6Ge2Rh4 cuboctahedra, edges with six equivalent RhPr6Ge2Rh4 cuboctahedra, faces with six equivalent GePr6Rh6 cuboctahedra, and faces with twelve equivalent RhPr6Ge2Rh4 cuboctahedra. All Rh–Rh bond lengths are 2.85 Å. Both Rh–Ge bond lengths are 2.62 Å. Ge is bonded to six equivalent Pr and six equivalent Rh atoms to form distorted GePr6Rh6 cuboctahedra that share corners with six equivalent GePr6Rh6 cuboctahedra, corners with twelve equivalent RhPr6Ge2Rh4 cuboctahedra, edges with six equivalent GePr6Rh6 cuboctahedra, and faces with eighteen equivalent RhPr6Ge2Rh4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr(Ge2Rh3)2 by Materials Project

Pr(Rh3Ge2)2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Pr is bonded to six equivalent Rh and six equivalent Ge atoms to form face-sharing PrGe6Rh6 cuboctahedra. All Pr–Rh bond lengths are 3.19 Å. All Pr–Ge bond lengths are 3.17 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to five Ge atoms. There are one shorter (2.51 Å) and four longer (2.58 Å) Rh–Ge bond lengths. In the second Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Pr and four Ge atoms. There are two shorter (2.50 Å) and two longer (2.57 Å) Rh–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to nine Rh atoms. In the second Ge site, Ge is bonded in a 8-coordinate geometry to two equivalent Pr and six Rh atoms.

36 MATERIALS SCIENCE↗