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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Pr2(Zn2Ge)3 by Materials Project

Pr2(Zn2Ge)3 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to nine Zn and six equivalent Ge atoms. There are three shorter (3.27 Å) and six longer (3.45 Å) Pr–Zn bond lengths. All Pr–Ge bond lengths are 3.17 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 3-coordinate geometry to four equivalent Pr and three equivalent Ge atoms. There are one shorter (2.54 Å) and two longer (2.65 Å) Zn–Ge bond lengths. In the second Zn site, Zn is bonded in a 2-coordinate geometry to two equivalent Pr and two equivalent Ge atoms. Both Zn–Ge bond lengths are 2.54 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Pr and five Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2(ZnGe2)3 by Materials Project

Pr2(ZnGe2)3 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 8-coordinate geometry to six Zn and eight Ge atoms. There are two shorter (3.28 Å) and four longer (3.35 Å) Pr–Zn bond lengths. There are a spread of Pr–Ge bond distances ranging from 3.13–3.23 Å. In the second Pr site, Pr is bonded in a 8-coordinate geometry to six Zn and eight Ge atoms. There are two shorter (3.29 Å) and four longer (3.42 Å) Pr–Zn bond lengths. There are a spread of Pr–Ge bond distances ranging from 3.14–3.22 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four Pr and four Ge atoms to form a mixture of distorted face and edge-sharing ZnPr4Ge4 tetrahedra. There are two shorter (2.62 Å) and two longer (2.68 Å) Zn–Ge bond lengths. In the second Zn site, Zn is bonded in a 5-coordinate geometry to four Pr and five Ge atoms. There are one shorter (2.54 Å) and four longer (2.62 Å) Zn–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to two Pr, one Zn, and three equivalent Ge atoms. There are one shorter (2.51 Å) and two longer (2.59 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four Pr and five Zn atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Pr and four equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrZnGe by Materials Project

PrZnGe 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 Zn and six equivalent Ge atoms to form a mixture of face and edge-sharing PrZn6Ge6 cuboctahedra. All Pr–Zn bond lengths are 3.13 Å. All Pr–Ge bond lengths are 3.34 Å. In the second Pr site, Pr is bonded to six equivalent Zn and six equivalent Ge atoms to form a mixture of distorted face and edge-sharing PrZn6Ge6 cuboctahedra. All Pr–Zn bond lengths are 3.40 Å. All Pr–Ge bond lengths are 3.19 Å. Zn is bonded in a 3-coordinate geometry to six Pr and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.51 Å. Ge is bonded in a 3-coordinate geometry to six Pr and three equivalent Zn atoms.

36 MATERIALS SCIENCE↗