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DOE OSTI2020

Materials Data on Sm2(Ga3Rh)3 by Materials Project

Sm2(RhGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Sm–Ga bond distances ranging from 3.05–3.15 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are four shorter (2.60 Å) and four longer (2.65 Å) Rh–Ga bond lengths. In the second Rh site, Rh is bonded in a 8-coordinate geometry to eight Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.59–2.64 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Sm, two equivalent Rh, and six Ga atoms. There are four shorter (2.77 Å) and two longer (2.78 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Sm, three Rh, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.80–2.98 Å. In the third Ga site, Ga is bonded in a 3-coordinate geometry to two equivalent Sm, three Rh, and five Ga atoms. There are one shorter (2.80 Å) and two longer (2.86 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Sm, two equivalent Rh, and six Ga atoms. The Ga–Ga bond length is 2.75 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy5(Ge5Rh2)2 by Materials Project

Dy5(Rh2Ge5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 8-coordinate geometry to four equivalent Rh and twelve Ge atoms. All Dy–Rh bond lengths are 3.23 Å. There are eight shorter (3.00 Å) and four longer (3.36 Å) Dy–Ge bond lengths. In the second Dy site, Dy is bonded to four equivalent Rh and eight Ge atoms to form face-sharing DyGe8Rh4 cuboctahedra. All Dy–Rh bond lengths are 3.12 Å. There are a spread of Dy–Ge bond distances ranging from 2.96–3.13 Å. In the third Dy site, Dy is bonded in a 8-coordinate geometry to four equivalent Rh and ten Ge atoms. All Dy–Rh bond lengths are 3.34 Å. There are a spread of Dy–Ge bond distances ranging from 3.25–3.34 Å. Rh is bonded in a 5-coordinate geometry to five Dy 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 Dy, 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 Dy, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.57 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Dy and two equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr(Sn2Rh)2 by Materials Project

Pr(RhSn2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to seven Sn atoms. There are a spread of Pr–Sn bond distances ranging from 3.20–3.39 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.72–2.90 Å. In the second Rh site, Rh is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.73–2.85 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to two equivalent Pr and four Rh atoms. In the second Sn site, Sn is bonded in a 5-coordinate geometry to two equivalent Pr and three equivalent Rh atoms. In the third Sn site, Sn is bonded in a 3-coordinate geometry to three equivalent Pr and three equivalent Rh atoms. In the fourth Sn site, Sn is bonded to four Rh atoms to form a mixture of distorted corner and edge-sharing SnRh4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2(B2Rh3)3 by Materials Project

Tm2(Rh3B2)3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tm is bonded in a 12-coordinate geometry to one Tm, twelve Rh, and six equivalent B atoms. The Tm–Tm bond length is 3.51 Å. There are six shorter (3.01 Å) and six longer (3.30 Å) Tm–Rh bond lengths. All Tm–B bond lengths are 3.24 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Tm and four B atoms. There are two shorter (2.15 Å) and two longer (2.16 Å) Rh–B bond lengths. In the second Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Tm and four equivalent B atoms. All Rh–B bond lengths are 2.16 Å. There are two inequivalent B sites. In the first B site, B is bonded to six equivalent Rh atoms to form distorted edge-sharing BRh6 pentagonal pyramids. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Tm and six Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr5(Sn5Rh2)2 by Materials Project

Pr5(Rh2Sn5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 8-coordinate geometry to four equivalent Rh and twelve Sn atoms. All Pr–Rh bond lengths are 3.54 Å. There are eight shorter (3.30 Å) and four longer (3.58 Å) Pr–Sn bond lengths. In the second Pr site, Pr is bonded to four equivalent Rh and eight Sn atoms to form distorted face-sharing PrSn8Rh4 cuboctahedra. All Pr–Rh bond lengths are 3.35 Å. There are two shorter (3.20 Å) and six longer (3.35 Å) Pr–Sn bond lengths. In the third Pr site, Pr is bonded in a 10-coordinate geometry to four equivalent Rh and ten Sn atoms. All Pr–Rh bond lengths are 3.67 Å. There are a spread of Pr–Sn bond distances ranging from 3.53–3.63 Å. Rh is bonded in a 10-coordinate geometry to five Pr and five Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.63–2.76 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Pr, two equivalent Rh, and one Sn atom. The Sn–Sn bond length is 2.80 Å. In the second Sn site, Sn is bonded in a 2-coordinate geometry to five Pr and two equivalent Rh atoms. In the third Sn site, Sn is bonded in a 2-coordinate geometry to four Pr and two equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2(Al3Rh)3 by Materials Project

Gd2(RhAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Gd is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of Gd–Al bond distances ranging from 3.06–3.14 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to eight Al atoms. There are four shorter (2.57 Å) and four longer (2.62 Å) Rh–Al bond lengths. In the second Rh site, Rh is bonded in a 8-coordinate geometry to eight Al atoms. There are a spread of Rh–Al bond distances ranging from 2.56–2.62 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Gd and two equivalent Rh atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Gd and three Rh atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Gd and three Rh atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Gd and two equivalent Rh 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↗
DOE OSTI2020

Materials Data on ZrSnRh by Materials Project

RhZrSn crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to five Rh and six equivalent Sn atoms. There are a spread of Zr–Rh bond distances ranging from 2.85–3.01 Å. There are a spread of Zr–Sn bond distances ranging from 3.07–3.25 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.71 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Sn atoms. All Rh–Sn bond lengths are 2.75 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Zr and four Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoInRh by Materials Project

HoRhIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to five Rh and six equivalent In atoms. There are four shorter (3.01 Å) and one longer (3.05 Å) Ho–Rh bond lengths. There are two shorter (3.20 Å) and four longer (3.32 Å) Ho–In bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent In atoms. All Rh–In bond lengths are 2.83 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent In atoms. All Rh–In bond lengths are 2.76 Å. In is bonded in a 4-coordinate geometry to six equivalent Ho and four Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoSnRh by Materials Project

HoRhSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to five Rh and six equivalent Sn atoms. There are four shorter (2.99 Å) and one longer (3.08 Å) Ho–Rh bond lengths. There are two shorter (3.15 Å) and four longer (3.30 Å) Ho–Sn bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.76 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent Sn atoms. All Rh–Sn bond lengths are 2.84 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Ho and four Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbSnRh by Materials Project

YbRhSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Yb is bonded in a 11-coordinate geometry to five Rh and six equivalent Sn atoms. There are one shorter (2.99 Å) and four longer (3.03 Å) Yb–Rh bond lengths. There are two shorter (3.19 Å) and four longer (3.34 Å) Yb–Sn bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Yb and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.80 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Sn atoms. All Rh–Sn bond lengths are 2.75 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Yb and four Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmSnRh by Materials Project

TmRhSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to five Rh and six equivalent Sn atoms. There are four shorter (2.97 Å) and one longer (3.06 Å) Tm–Rh bond lengths. There are two shorter (3.13 Å) and four longer (3.28 Å) Tm–Sn bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Tm and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.75 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Tm and three equivalent Sn atoms. All Rh–Sn bond lengths are 2.82 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Tm and four Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSnRh by Materials Project

CeRhSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to five Rh and six equivalent Sn atoms. There are four shorter (3.04 Å) and one longer (3.10 Å) Ce–Rh bond lengths. There are two shorter (3.23 Å) and four longer (3.39 Å) Ce–Sn bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.78 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Sn atoms. All Rh–Sn bond lengths are 2.85 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Ce and four Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaSnRh by Materials Project

LaRhSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. La is bonded in a 11-coordinate geometry to five Rh and six equivalent Sn atoms. There are four shorter (3.11 Å) and one longer (3.14 Å) La–Rh bond lengths. There are two shorter (3.33 Å) and four longer (3.47 Å) La–Sn bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent La and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.83 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Sn atoms. All Rh–Sn bond lengths are 2.90 Å. Sn is bonded in a 12-coordinate geometry to six equivalent La, four Rh, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.21 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrSnRh by Materials Project

PrRhSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to five Rh and six equivalent Sn atoms. There are four shorter (3.09 Å) and one longer (3.11 Å) Pr–Rh bond lengths. There are two shorter (3.30 Å) and four longer (3.43 Å) Pr–Sn bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.82 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Sn atoms. All Rh–Sn bond lengths are 2.88 Å. Sn is bonded in a 12-coordinate geometry to six equivalent Pr and four Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al5Rh2 by Materials Project

Al5Rh2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to nine Al atoms. There are six shorter (2.46 Å) and three longer (2.69 Å) Rh–Al bond lengths. In the second Rh site, Rh is bonded in a 10-coordinate geometry to ten Al atoms. There are a spread of Rh–Al bond distances ranging from 2.48–2.79 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded to six equivalent Rh atoms to form distorted face-sharing AlRh6 cuboctahedra. In the second Al site, Al is bonded in a 3-coordinate geometry to three Rh atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to four Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu4Ge6Rh7 by Materials Project

Lu4Rh7Ge6 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Lu is bonded to six equivalent Rh and six equivalent Ge atoms to form LuGe6Rh6 cuboctahedra that share corners with twelve equivalent LuGe6Rh6 cuboctahedra, faces with six equivalent LuGe6Rh6 cuboctahedra, and faces with two equivalent RhGe6 octahedra. All Lu–Rh bond lengths are 2.94 Å. All Lu–Ge bond lengths are 3.00 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to six equivalent Ge atoms to form RhGe6 octahedra that share faces with eight equivalent LuGe6Rh6 cuboctahedra. All Rh–Ge bond lengths are 2.65 Å. In the second Rh site, Rh is bonded in a 12-coordinate geometry to four equivalent Lu and four equivalent Ge atoms. All Rh–Ge bond lengths are 2.57 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Lu and five Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrInRh by Materials Project

PrRhIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to five Rh and six equivalent In atoms. There are four shorter (3.09 Å) and one longer (3.15 Å) Pr–Rh bond lengths. There are two shorter (3.31 Å) and four longer (3.43 Å) Pr–In bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent In atoms. All Rh–In bond lengths are 2.93 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent In atoms. All Rh–In bond lengths are 2.80 Å. In is bonded in a 4-coordinate geometry to six equivalent Pr and four Rh atoms.

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