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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Pr(GeRu)2 by Materials Project

PrRu2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to eight equivalent Ru and eight equivalent Ge atoms. All Pr–Ru bond lengths are 3.32 Å. All Pr–Ge bond lengths are 3.34 Å. Ru is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Ge atoms. All Ru–Ge bond lengths are 2.46 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Pr, four equivalent Ru, and one Ge atom. The Ge–Ge bond length is 2.71 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrGeRu by Materials Project

PrRuGe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pr is bonded in a 9-coordinate geometry to four equivalent Ru and five equivalent Ge atoms. All Pr–Ru bond lengths are 3.08 Å. There are four shorter (3.18 Å) and one longer (3.45 Å) Pr–Ge bond lengths. Ru is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Ge atoms. All Ru–Ge bond lengths are 2.53 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Pr and four equivalent Ru atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2Ge5Ru3 by Materials Project

Pr2Ru3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to six Ru and ten Ge atoms. There are a spread of Pr–Ru bond distances ranging from 3.25–3.51 Å. There are a spread of Pr–Ge bond distances ranging from 3.03–3.47 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 6-coordinate geometry to four equivalent Pr and six Ge atoms. There are four shorter (2.52 Å) and two longer (2.66 Å) Ru–Ge bond lengths. In the second Ru site, Ru is bonded in a 9-coordinate geometry to four equivalent Pr and five Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.46–2.53 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Ru atoms. In the second Ge site, Ge is bonded in a 11-coordinate geometry to four equivalent Pr, three Ru, and four Ge atoms. There are two shorter (2.70 Å) and two longer (2.95 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 6-coordinate geometry to four equivalent Pr, three Ru, and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2Ge2Ru by Materials Project

Pr2RuGe2 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 2-coordinate geometry to four equivalent Ru and six Ge atoms. There are a spread of Pr–Ru bond distances ranging from 3.13–3.39 Å. There are a spread of Pr–Ge bond distances ranging from 3.05–3.34 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to two equivalent Ru and six Ge atoms. Both Pr–Ru bond lengths are 3.47 Å. There are a spread of Pr–Ge bond distances ranging from 3.00–3.46 Å. Ru is bonded in a 4-coordinate geometry to six Pr and four Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.49–2.66 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to five Pr and three equivalent Ru atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Pr, one Ru, and one Ge atom. The Ge–Ge bond length is 2.74 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3(GeRu)2 by Materials Project

Pr3(RuGe)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 1-coordinate geometry to four equivalent Ru and five Ge atoms. There are a spread of Pr–Ru bond distances ranging from 2.92–3.19 Å. There are a spread of Pr–Ge bond distances ranging from 3.15–3.58 Å. In the second Pr site, Pr is bonded in a 9-coordinate geometry to four equivalent Ru and five Ge atoms. There are two shorter (3.14 Å) and two longer (3.25 Å) Pr–Ru bond lengths. There are a spread of Pr–Ge bond distances ranging from 3.09–3.44 Å. Ru is bonded in a 9-coordinate geometry to six Pr and three Ge atoms. There are two shorter (2.59 Å) and one longer (2.62 Å) Ru–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Pr and two equivalent Ru atoms. In the second Ge site, Ge is bonded to eight Pr and four equivalent Ru atoms to form a mixture of distorted corner, edge, and face-sharing GePr8Ru4 cuboctahedra.

36 MATERIALS SCIENCE↗