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6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Y2GeRh3 by Materials Project

Y2Rh3Ge crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y is bonded in a 9-coordinate geometry to four equivalent Y, nine equivalent Rh, and three equivalent Ge atoms. There are one shorter (3.09 Å) and three longer (3.37 Å) Y–Y bond lengths. There are three shorter (2.93 Å) and six longer (3.21 Å) Y–Rh bond lengths. All Y–Ge bond lengths are 3.27 Å. Rh is bonded to six equivalent Y, four equivalent Rh, and two equivalent Ge atoms to form distorted RhY6Ge2Rh4 cuboctahedra that share corners with four equivalent GeY6Rh6 cuboctahedra, corners with fourteen equivalent RhY6Ge2Rh4 cuboctahedra, edges with six equivalent RhY6Ge2Rh4 cuboctahedra, faces with six equivalent GeY6Rh6 cuboctahedra, and faces with twelve equivalent RhY6Ge2Rh4 cuboctahedra. All Rh–Rh bond lengths are 2.81 Å. Both Rh–Ge bond lengths are 2.57 Å. Ge is bonded to six equivalent Y and six equivalent Rh atoms to form distorted GeY6Rh6 cuboctahedra that share corners with six equivalent GeY6Rh6 cuboctahedra, corners with twelve equivalent RhY6Ge2Rh4 cuboctahedra, edges with six equivalent GeY6Rh6 cuboctahedra, and faces with eighteen equivalent RhY6Ge2Rh4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y(GeRh)2 by Materials Project

Y(RhGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Ge atoms. All Y–Rh bond lengths are 3.32 Å. All Y–Ge bond lengths are 3.19 Å. Rh is bonded to four equivalent Y and four equivalent Ge atoms to form a mixture of distorted corner, edge, and face-sharing RhY4Ge4 tetrahedra. All Rh–Ge bond lengths are 2.47 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Y, four equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.53 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YGeRh by Materials Project

YRhGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to six equivalent Rh and five equivalent Ge atoms. There are a spread of Y–Rh bond distances ranging from 3.02–3.34 Å. There are a spread of Y–Ge bond distances ranging from 3.01–3.05 Å. Rh is bonded in a 10-coordinate geometry to six equivalent Y and four equivalent Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.56–2.65 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Y and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y(GeRh2)2 by Materials Project

Y(Rh2Ge)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y is bonded in a 2-coordinate geometry to eleven Rh and five Ge atoms. There are a spread of Y–Rh bond distances ranging from 2.81–3.21 Å. There are a spread of Y–Ge bond distances ranging from 3.05–3.29 Å. There are four inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to three equivalent Y, five Rh, and four Ge atoms. There are a spread of Rh–Rh bond distances ranging from 2.73–2.99 Å. There are a spread of Rh–Ge bond distances ranging from 2.45–2.66 Å. In the second Rh site, Rh is bonded in a 5-coordinate geometry to three equivalent Y, four Rh, and three Ge atoms. There are two shorter (3.01 Å) and one longer (3.02 Å) Rh–Rh bond lengths. There are one shorter (2.51 Å) and two longer (2.55 Å) Rh–Ge bond lengths. In the third Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Y, five Rh, and four Ge atoms. There are two shorter (2.87 Å) and one longer (2.92 Å) Rh–Rh bond lengths. There are a spread of Rh–Ge bond distances ranging from 2.41–2.65 Å. In the fourth Rh site, Rh is bonded in a 4-coordinate geometry to three equivalent Y, six Rh, and four Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.50–2.71 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Y and seven Rh atoms. In the second Ge site, Ge is bonded in a 8-coordinate geometry to two equivalent Y and eight Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2Ge5Rh3 by Materials Project

Y2Rh3Ge5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Y is bonded in a 1-coordinate geometry to eight Ge atoms. There are a spread of Y–Ge bond distances ranging from 3.00–3.32 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.51–2.70 Å. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.40–2.52 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Y, three Rh, and two Ge atoms. Both Ge–Ge bond lengths are 2.69 Å. In the second Ge site, Ge is bonded in a 3-coordinate geometry to three Rh and four Ge atoms. Both Ge–Ge bond lengths are 2.98 Å. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Y and four equivalent Rh atoms. In the fourth Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Y, three Rh, and four Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y5(Ge5Rh2)2 by Materials Project

Y5(Rh2Ge5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 8-coordinate geometry to four equivalent Rh and twelve Ge atoms. All Y–Rh bond lengths are 3.23 Å. There are eight shorter (3.00 Å) and four longer (3.36 Å) Y–Ge bond lengths. In the second Y site, Y is bonded to four equivalent Rh and eight Ge atoms to form face-sharing YGe8Rh4 cuboctahedra. All Y–Rh bond lengths are 3.13 Å. There are a spread of Y–Ge bond distances ranging from 2.96–3.13 Å. In the third Y site, Y is bonded in a 8-coordinate geometry to four equivalent Rh and ten Ge atoms. All Y–Rh bond lengths are 3.35 Å. There are a spread of Y–Ge bond distances ranging from 3.25–3.35 Å. Rh is bonded in a 5-coordinate geometry to five Y and five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.45–2.58 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Y, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.46 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Y, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.58 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Y and two equivalent Rh atoms.

36 MATERIALS SCIENCE↗