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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PrAgSn by Materials Project

PrAgSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Sn atoms. There are three shorter (3.19 Å) and three longer (3.64 Å) Pr–Ag bond lengths. There are three shorter (3.28 Å) and three longer (3.53 Å) Pr–Sn bond lengths. Ag is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Sn atoms. There are three shorter (2.86 Å) and one longer (3.24 Å) Ag–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Pr and four equivalent Ag atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3(AgSn)4 by Materials Project

Pr3Ag4Sn4 crystallizes in the monoclinic C2/m 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 Ag and four Sn atoms. There are two shorter (3.29 Å) and two longer (3.30 Å) Pr–Ag bond lengths. There are two shorter (3.28 Å) and two longer (3.42 Å) Pr–Sn bond lengths. In the second Pr site, Pr is bonded to eight Ag and four Sn atoms to form distorted face-sharing PrAg8Sn4 cuboctahedra. There are four shorter (3.43 Å) and four longer (3.44 Å) Pr–Ag bond lengths. There are two shorter (3.06 Å) and two longer (3.32 Å) Pr–Sn bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 8-coordinate geometry to four Pr and four Sn atoms. There are two shorter (2.93 Å) and two longer (3.07 Å) Ag–Sn bond lengths. In the second Ag site, Ag is bonded in a 8-coordinate geometry to four Pr and four Sn atoms. There are two shorter (2.92 Å) and two longer (3.06 Å) Ag–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to three Pr and four Ag atoms. In the second Sn site, Sn is bonded in a 1-coordinate geometry to three Pr, four Ag, and one Sn atom. The Sn–Sn bond length is 2.81 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3(AgSn)4 by Materials Project

Pr3Ag4Sn4 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 to six Sn atoms to form distorted edge-sharing PrSn6 octahedra. There are four shorter (3.28 Å) and two longer (3.37 Å) Pr–Sn bond lengths. In the second Pr site, Pr is bonded in a 12-coordinate geometry to six equivalent Ag and six Sn atoms. There are four shorter (3.34 Å) and two longer (3.46 Å) Pr–Ag bond lengths. There are two shorter (3.40 Å) and four longer (3.43 Å) Pr–Sn bond lengths. Ag is bonded in a 12-coordinate geometry to three equivalent Pr, one Ag, and four Sn atoms. The Ag–Ag bond length is 2.89 Å. There are a spread of Ag–Sn bond distances ranging from 2.80–2.90 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three Pr and six equivalent Ag atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Pr, two equivalent Ag, and one Sn atom. The Sn–Sn bond length is 2.88 Å.

36 MATERIALS SCIENCE↗