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4 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Pr3(NiGe)4 by Materials Project

Pr3(NiGe)4 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 eight equivalent Ni and four equivalent Ge atoms to form a mixture of edge and face-sharing PrNi8Ge4 cuboctahedra. All Pr–Ni bond lengths are 3.18 Å. All Pr–Ge bond lengths are 3.19 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to six Ni and eight Ge atoms. There are two shorter (3.17 Å) and four longer (3.19 Å) Pr–Ni bond lengths. There are a spread of Pr–Ge bond distances ranging from 3.18–3.22 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to six Pr, one Ni, and two equivalent Ge atoms. The Ni–Ni bond length is 2.40 Å. Both Ni–Ge bond lengths are 2.40 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to four equivalent Pr and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.40–2.43 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Ni atoms. In the second Ge site, Ge is bonded in a 3-coordinate geometry to six Pr and three Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrNiGe3 by Materials Project

PrNiGe3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Pr is bonded in a 4-coordinate geometry to four equivalent Ni and ten Ge atoms. All Pr–Ni bond lengths are 3.24 Å. There are a spread of Pr–Ge bond distances ranging from 3.14–3.29 Å. Ni is bonded in a 9-coordinate geometry to four equivalent Pr and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.36–2.39 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Pr, two equivalent Ni, and five Ge atoms. There are one shorter (2.49 Å) and four longer (2.96 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Pr, two equivalent Ni, and five Ge atoms. The Ge–Ge bond length is 2.49 Å. In the third Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Pr, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.57 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr(NiGe)2 by Materials Project

PrNi2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to eight equivalent Ni and eight equivalent Ge atoms. All Pr–Ni bond lengths are 3.23 Å. All Pr–Ge bond lengths are 3.22 Å. Ni is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Ge atoms. All Ni–Ge bond lengths are 2.38 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Pr, four equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.63 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrNiGe2 by Materials Project

PrNiGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to four equivalent Ni and ten Ge atoms. All Pr–Ni bond lengths are 3.25 Å. There are a spread of Pr–Ge bond distances ranging from 3.18–3.31 Å. Ni is bonded in a 5-coordinate geometry to four equivalent Pr and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.33–2.42 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Pr, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.55 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗