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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PrZnSn by Materials Project

PrZnSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to six equivalent Sn atoms to form distorted edge-sharing PrSn6 octahedra. All Pr–Sn bond lengths are 3.28 Å. In the second Pr site, Pr is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Sn atoms. All Pr–Zn bond lengths are 3.09 Å. All Pr–Sn bond lengths are 3.47 Å. Zn is bonded in a 6-coordinate geometry to three equivalent Pr and three equivalent Sn atoms. All Zn–Sn bond lengths are 2.74 Å. Sn is bonded in a 9-coordinate geometry to six Pr and three equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2Zn5Sn by Materials Project

Pr2Zn5Sn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 11-coordinate geometry to thirteen Zn and two equivalent Sn atoms. There are a spread of Pr–Zn bond distances ranging from 3.16–3.34 Å. Both Pr–Sn bond lengths are 3.38 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to ten Zn and four equivalent Sn atoms. There are a spread of Pr–Zn bond distances ranging from 3.24–3.65 Å. All Pr–Sn bond lengths are 3.34 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to four Pr and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.57–2.93 Å. In the second Zn site, Zn is bonded in a 1-coordinate geometry to five Pr, four Zn, and one Sn atom. The Zn–Zn bond length is 2.57 Å. The Zn–Sn bond length is 2.72 Å. In the third Zn site, Zn is bonded in a 1-coordinate geometry to five Pr, six Zn, and one Sn atom. The Zn–Sn bond length is 2.65 Å. Sn is bonded in a 9-coordinate geometry to six Pr and three Zn atoms.

36 MATERIALS SCIENCE↗