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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PrSnRh by Materials Project

PrRhSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to five Rh and six equivalent Sn atoms. There are four shorter (3.09 Å) and one longer (3.11 Å) Pr–Rh bond lengths. There are two shorter (3.30 Å) and four longer (3.43 Å) Pr–Sn bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.82 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Sn atoms. All Rh–Sn bond lengths are 2.88 Å. Sn is bonded in a 12-coordinate geometry to six equivalent Pr and four Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3Sn13Rh4 by Materials Project

Pr3Rh4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Rh and twelve equivalent Sn atoms. All Pr–Rh bond lengths are 3.48 Å. All Pr–Sn bond lengths are 3.46 Å. Rh is bonded in a 6-coordinate geometry to three equivalent Pr and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.70 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms. All Sn–Sn bond lengths are 3.38 Å. In the second Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Pr, two equivalent Rh, and one Sn atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr(Sn2Rh)2 by Materials Project

Pr(RhSn2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to seven Sn atoms. There are a spread of Pr–Sn bond distances ranging from 3.20–3.39 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.72–2.90 Å. In the second Rh site, Rh is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.73–2.85 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to two equivalent Pr and four Rh atoms. In the second Sn site, Sn is bonded in a 5-coordinate geometry to two equivalent Pr and three equivalent Rh atoms. In the third Sn site, Sn is bonded in a 3-coordinate geometry to three equivalent Pr and three equivalent Rh atoms. In the fourth Sn site, Sn is bonded to four Rh atoms to form a mixture of distorted corner and edge-sharing SnRh4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr5(Sn5Rh2)2 by Materials Project

Pr5(Rh2Sn5)2 crystallizes in the tetragonal P4/mbm 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 four equivalent Rh and twelve Sn atoms. All Pr–Rh bond lengths are 3.54 Å. There are eight shorter (3.30 Å) and four longer (3.58 Å) Pr–Sn bond lengths. In the second Pr site, Pr is bonded to four equivalent Rh and eight Sn atoms to form distorted face-sharing PrSn8Rh4 cuboctahedra. All Pr–Rh bond lengths are 3.35 Å. There are two shorter (3.20 Å) and six longer (3.35 Å) Pr–Sn bond lengths. In the third Pr site, Pr is bonded in a 10-coordinate geometry to four equivalent Rh and ten Sn atoms. All Pr–Rh bond lengths are 3.67 Å. There are a spread of Pr–Sn bond distances ranging from 3.53–3.63 Å. Rh is bonded in a 10-coordinate geometry to five Pr and five Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.63–2.76 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Pr, two equivalent Rh, and one Sn atom. The Sn–Sn bond length is 2.80 Å. In the second Sn site, Sn is bonded in a 2-coordinate geometry to five Pr and two equivalent Rh atoms. In the third Sn site, Sn is bonded in a 2-coordinate geometry to four Pr and two equivalent Rh atoms.

36 MATERIALS SCIENCE↗