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DOE OSTI2020

Materials Data on Dy5(Sn3Rh)6 by Materials Project

Dy5Rh6Sn17Sn crystallizes in the cubic F-43m space group. The structure is three-dimensional and consists of four 7440-31-5 molecules and one Dy5Rh6Sn17 framework. In the Dy5Rh6Sn17 framework, there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to six equivalent Rh and twelve equivalent Sn atoms. All Dy–Rh bond lengths are 3.56 Å. All Dy–Sn bond lengths are 3.47 Å. In the second Dy site, Dy is bonded in a 1-coordinate geometry to three equivalent Rh and ten Sn atoms. All Dy–Rh bond lengths are 3.05 Å. There are a spread of Dy–Sn bond distances ranging from 2.91–3.41 Å. Rh is bonded in a 9-coordinate geometry to three Dy and six Sn atoms. There are four shorter (2.69 Å) and two longer (2.82 Å) Rh–Sn bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a tetrahedral geometry to four equivalent Dy atoms. In the second Sn site, Sn is bonded in a hexagonal planar geometry to three equivalent Dy and three equivalent Rh atoms. In the third Sn site, Sn is bonded in a 2-coordinate geometry to three Dy and two equivalent Rh atoms.

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Materials Data on ZrPRh by Materials Project

ZrRhP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to six equivalent Rh and five equivalent P atoms. There are a spread of Zr–Rh bond distances ranging from 2.93–3.08 Å. There are a spread of Zr–P bond distances ranging from 2.72–2.78 Å. Rh is bonded in a 12-coordinate geometry to six equivalent Zr, two equivalent Rh, and four equivalent P atoms. Both Rh–Rh bond lengths are 2.84 Å. There are a spread of Rh–P bond distances ranging from 2.43–2.54 Å. P is bonded in a 9-coordinate geometry to five equivalent Zr and four equivalent Rh atoms.

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DOE OSTI2020

Materials Data on Er2GeRh3 by Materials Project

Er2Rh3Ge crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er is bonded in a 9-coordinate geometry to nine equivalent Rh and three equivalent Ge atoms. There are three shorter (2.90 Å) and six longer (3.19 Å) Er–Rh bond lengths. All Er–Ge bond lengths are 3.26 Å. Rh is bonded to six equivalent Er, four equivalent Rh, and two equivalent Ge atoms to form distorted RhEr6Ge2Rh4 cuboctahedra that share corners with four equivalent GeEr6Rh6 cuboctahedra, corners with fourteen equivalent RhEr6Ge2Rh4 cuboctahedra, edges with six equivalent RhEr6Ge2Rh4 cuboctahedra, faces with six equivalent GeEr6Rh6 cuboctahedra, and faces with twelve equivalent RhEr6Ge2Rh4 cuboctahedra. All Rh–Rh bond lengths are 2.80 Å. Both Rh–Ge bond lengths are 2.55 Å. Ge is bonded to six equivalent Er and six equivalent Rh atoms to form distorted GeEr6Rh6 cuboctahedra that share corners with six equivalent GeEr6Rh6 cuboctahedra, corners with twelve equivalent RhEr6Ge2Rh4 cuboctahedra, edges with six equivalent GeEr6Rh6 cuboctahedra, and faces with eighteen equivalent RhEr6Ge2Rh4 cuboctahedra.

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DOE OSTI2020

Materials Data on Si2Rh3 by Materials Project

Rh3Si2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to five equivalent Si atoms. There are a spread of Rh–Si bond distances ranging from 2.40–2.70 Å. In the second Rh site, Rh is bonded in a 6-coordinate geometry to six equivalent Si atoms. All Rh–Si bond lengths are 2.53 Å. Si is bonded in a body-centered cubic geometry to eight Rh atoms.

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DOE OSTI2020

Materials Data on CeYRh4 by Materials Project

CeYRh4 is Cubic Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to four equivalent Y and twelve equivalent Rh atoms. All Ce–Y bond lengths are 3.29 Å. All Ce–Rh bond lengths are 3.15 Å. Y is bonded in a 12-coordinate geometry to four equivalent Ce and twelve equivalent Rh atoms. All Y–Rh bond lengths are 3.15 Å. Rh is bonded to three equivalent Ce, three equivalent Y, and six equivalent Rh atoms to form a mixture of edge, face, and corner-sharing RhCe3Y3Rh6 cuboctahedra. There are three shorter (2.68 Å) and three longer (2.69 Å) Rh–Rh bond lengths.

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DOE OSTI2020

Materials Data on CePdRh2 by Materials Project

CeRh2Pd is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce is bonded to eight equivalent Rh and four equivalent Pd atoms to form CePd4Rh8 cuboctahedra that share corners with twelve equivalent CePd4Rh8 cuboctahedra, edges with eight equivalent PdCe4Rh8 cuboctahedra, faces with four equivalent PdCe4Rh8 cuboctahedra, and faces with six equivalent CePd4Rh8 cuboctahedra. All Ce–Rh bond lengths are 2.89 Å. All Ce–Pd bond lengths are 2.94 Å. Rh is bonded in a 12-coordinate geometry to four equivalent Ce, four equivalent Rh, and four equivalent Pd atoms. All Rh–Rh bond lengths are 2.94 Å. All Rh–Pd bond lengths are 2.89 Å. Pd is bonded to four equivalent Ce and eight equivalent Rh atoms to form PdCe4Rh8 cuboctahedra that share corners with twelve equivalent PdCe4Rh8 cuboctahedra, edges with eight equivalent CePd4Rh8 cuboctahedra, faces with four equivalent CePd4Rh8 cuboctahedra, and faces with six equivalent PdCe4Rh8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3(GeRh)2 by Materials Project

Sm3Rh2Ge2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 7-coordinate geometry to four equivalent Rh and five Ge atoms. There are a spread of Sm–Rh bond distances ranging from 2.94–3.20 Å. There are a spread of Sm–Ge bond distances ranging from 3.04–3.38 Å. In the second Sm site, Sm is bonded in a 9-coordinate geometry to four equivalent Rh and five Ge atoms. There are two shorter (3.07 Å) and two longer (3.16 Å) Sm–Rh bond lengths. There are a spread of Sm–Ge bond distances ranging from 3.03–3.35 Å. Rh is bonded in a 9-coordinate geometry to six Sm and three Ge atoms. There are one shorter (2.56 Å) and two longer (2.61 Å) Rh–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Sm and two equivalent Rh atoms. In the second Ge site, Ge is bonded to eight Sm and four equivalent Rh atoms to form a mixture of distorted corner, edge, and face-sharing GeSm8Rh4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2Ge3Rh by Materials Project

Ce2RhGe3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to two equivalent Rh and ten Ge atoms to form a mixture of edge and face-sharing CeGe10Rh2 cuboctahedra. Both Ce–Rh bond lengths are 3.19 Å. There are a spread of Ce–Ge bond distances ranging from 3.19–3.36 Å. In the second Ce site, Ce is bonded to four equivalent Rh and eight Ge atoms to form a mixture of edge and face-sharing CeGe8Rh4 cuboctahedra. All Ce–Rh bond lengths are 3.19 Å. There are a spread of Ce–Ge bond distances ranging from 3.15–3.38 Å. Rh is bonded in a 3-coordinate geometry to six Ce and three Ge atoms. There are one shorter (2.43 Å) and two longer (2.45 Å) Rh–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Ce and three Ge atoms. All Ge–Ge bond lengths are 2.46 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to six Ce, two equivalent Rh, and one Ge atom. In the third Ge site, Ge is bonded in a 1-coordinate geometry to six Ce, one Rh, and two equivalent Ge atoms.

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DOE OSTI2020

Materials Data on Nd3(GeRh)2 by Materials Project

Nd3(RhGe)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 9-coordinate geometry to four equivalent Rh and five Ge atoms. There are two shorter (3.15 Å) and two longer (3.17 Å) Nd–Rh bond lengths. There are a spread of Nd–Ge bond distances ranging from 3.06–3.37 Å. In the second Nd site, Nd is bonded in a 7-coordinate geometry to four equivalent Rh and five Ge atoms. There are a spread of Nd–Rh bond distances ranging from 2.94–3.23 Å. There are a spread of Nd–Ge bond distances ranging from 3.09–3.42 Å. Rh is bonded in a 9-coordinate geometry to six Nd and three Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.56–2.63 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Nd and two equivalent Rh atoms. In the second Ge site, Ge is bonded to eight Nd and four equivalent Rh atoms to form a mixture of distorted corner, edge, and face-sharing GeNd8Rh4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb3(GeRh)2 by Materials Project

Tb3(RhGe)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 9-coordinate geometry to four equivalent Rh and five Ge atoms. There are two shorter (3.04 Å) and two longer (3.08 Å) Tb–Rh bond lengths. There are a spread of Tb–Ge bond distances ranging from 3.03–3.32 Å. In the second Tb site, Tb is bonded in a 7-coordinate geometry to four equivalent Rh and five Ge atoms. There are a spread of Tb–Rh bond distances ranging from 2.92–3.15 Å. There are a spread of Tb–Ge bond distances ranging from 3.01–3.37 Å. Rh is bonded in a 9-coordinate geometry to six Tb and three Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.55–2.62 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Tb and two equivalent Rh atoms. In the second Ge site, Ge is bonded in a 12-coordinate geometry to eight Tb and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSbRh by Materials Project

CeRhSb crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ce is bonded in a 3-coordinate geometry to five equivalent Rh and six equivalent Sb atoms. There are a spread of Ce–Rh bond distances ranging from 3.04–3.23 Å. There are a spread of Ce–Sb bond distances ranging from 3.26–3.46 Å. Rh is bonded in a 9-coordinate geometry to five equivalent Ce, one Rh, and three equivalent Sb atoms. The Rh–Rh bond length is 2.81 Å. There are two shorter (2.66 Å) and one longer (2.81 Å) Rh–Sb bond lengths. Sb is bonded in a 10-coordinate geometry to six equivalent Ce, three equivalent Rh, and one Sb atom. The Sb–Sb bond length is 3.02 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu3(GeRh)2 by Materials Project

Lu3(RhGe)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 9-coordinate geometry to four equivalent Rh and five Ge atoms. There are two shorter (2.99 Å) and two longer (3.01 Å) Lu–Rh bond lengths. There are a spread of Lu–Ge bond distances ranging from 2.93–3.27 Å. In the second Lu site, Lu is bonded in a 7-coordinate geometry to four equivalent Rh and five Ge atoms. There are a spread of Lu–Rh bond distances ranging from 2.87–3.07 Å. There are a spread of Lu–Ge bond distances ranging from 2.95–3.31 Å. Rh is bonded in a 9-coordinate geometry to six Lu and three Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.52–2.60 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Lu and two equivalent Rh atoms. In the second Ge site, Ge is bonded in a 12-coordinate geometry to eight Lu and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NbGeRh by Materials Project

NbRhGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nb is bonded in a 11-coordinate geometry to six equivalent Rh and five equivalent Ge atoms. There are a spread of Nb–Rh bond distances ranging from 2.97–3.08 Å. There are three shorter (2.73 Å) and two longer (2.80 Å) Nb–Ge bond lengths. Rh is bonded in a 12-coordinate geometry to six equivalent Nb, two equivalent Rh, and four equivalent Ge atoms. Both Rh–Rh bond lengths are 2.86 Å. There are three shorter (2.47 Å) and one longer (2.54 Å) Rh–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to five equivalent Nb and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn5(Bi2Rh)2 by Materials Project

Mn5Rh2Bi4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 10-coordinate geometry to two equivalent Mn, two equivalent Rh, and six Bi atoms. Both Mn–Mn bond lengths are 3.00 Å. Both Mn–Rh bond lengths are 2.70 Å. There are a spread of Mn–Bi bond distances ranging from 3.07–3.11 Å. In the second Mn site, Mn is bonded in a 6-coordinate geometry to three equivalent Mn, three equivalent Rh, and four Bi atoms. All Mn–Rh bond lengths are 2.65 Å. There are three shorter (2.91 Å) and one longer (3.42 Å) Mn–Bi bond lengths. Rh is bonded in a 10-coordinate geometry to six Mn and four Bi atoms. There are one shorter (2.75 Å) and three longer (2.95 Å) Rh–Bi bond lengths. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a distorted octahedral geometry to ten Mn atoms. In the second Bi site, Bi is bonded in a 10-coordinate geometry to six equivalent Mn and four equivalent Rh atoms. In the third Bi site, Bi is bonded in a 8-coordinate geometry to six Mn and two equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CePtRh by Materials Project

CeRhPt is Cubic Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to six equivalent Rh and six equivalent Pt atoms. There are four shorter (3.17 Å) and two longer (3.18 Å) Ce–Rh bond lengths. There are two shorter (3.19 Å) and four longer (3.20 Å) Ce–Pt bond lengths. Rh is bonded to six equivalent Ce, two equivalent Rh, and four equivalent Pt atoms to form RhCe6Pt4Rh2 cuboctahedra that share corners with eight equivalent PtCe6Pt2Rh4 cuboctahedra, corners with ten equivalent RhCe6Pt4Rh2 cuboctahedra, edges with six equivalent RhCe6Pt4Rh2 cuboctahedra, faces with six equivalent RhCe6Pt4Rh2 cuboctahedra, and faces with twelve equivalent PtCe6Pt2Rh4 cuboctahedra. Both Rh–Rh bond lengths are 2.74 Å. All Rh–Pt bond lengths are 2.72 Å. Pt is bonded to six equivalent Ce, four equivalent Rh, and two equivalent Pt atoms to form PtCe6Pt2Rh4 cuboctahedra that share corners with eight equivalent RhCe6Pt4Rh2 cuboctahedra, corners with ten equivalent PtCe6Pt2Rh4 cuboctahedra, edges with six equivalent PtCe6Pt2Rh4 cuboctahedra, faces with six equivalent PtCe6Pt2Rh4 cuboctahedra, and faces with twelve equivalent RhCe6Pt4Rh2 cuboctahedra. Both Pt–Pt bond lengths are 2.69 Å.

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DOE OSTI2020

Materials Data on Ba3(Ge4Rh)4 by Materials Project

Ba3Rh4Ge16 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 4-coordinate geometry to two equivalent Rh and sixteen Ge atoms. Both Ba–Rh bond lengths are 3.61 Å. There are four shorter (3.53 Å) and twelve longer (3.58 Å) Ba–Ge bond lengths. In the second Ba site, Ba is bonded in a 8-coordinate geometry to eight equivalent Rh and sixteen Ge atoms. All Ba–Rh bond lengths are 3.87 Å. There are eight shorter (3.64 Å) and eight longer (3.68 Å) Ba–Ge bond lengths. Rh is bonded in a 6-coordinate geometry to three Ba and six Ge atoms. There are two shorter (2.49 Å) and four longer (2.51 Å) Rh–Ge bond lengths. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three Ba, two equivalent Rh, and two Ge atoms. There are one shorter (2.74 Å) and one longer (2.76 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Ba and two equivalent Rh atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ba and five Ge atoms. The Ge–Ge bond length is 2.55 Å. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ba and five Ge atoms.

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DOE OSTI2020

Materials Data on Pr2CdRh2 by Materials Project

Pr2Rh2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to six equivalent Rh and four equivalent Cd atoms. There are two shorter (2.94 Å) and four longer (3.07 Å) Pr–Rh bond lengths. All Pr–Cd bond lengths are 3.46 Å. Rh is bonded in a 9-coordinate geometry to six equivalent Pr, one Rh, and two equivalent Cd atoms. The Rh–Rh bond length is 2.74 Å. Both Rh–Cd bond lengths are 2.99 Å. Cd is bonded to eight equivalent Pr and four equivalent Rh atoms to form a mixture of distorted corner and face-sharing CdPr8Rh4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeCoRh by Materials Project

CeRhCo crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to six equivalent Rh and six equivalent Co atoms. There are four shorter (2.99 Å) and two longer (3.07 Å) Ce–Rh bond lengths. There are two shorter (2.95 Å) and four longer (3.13 Å) Ce–Co bond lengths. Rh is bonded to six equivalent Ce, two equivalent Rh, and four equivalent Co atoms to form distorted RhCe6Co4Rh2 cuboctahedra that share corners with eight equivalent CoCe6Co2Rh4 cuboctahedra, corners with ten equivalent RhCe6Co4Rh2 cuboctahedra, edges with six equivalent RhCe6Co4Rh2 cuboctahedra, faces with six equivalent RhCe6Co4Rh2 cuboctahedra, and faces with twelve equivalent CoCe6Co2Rh4 cuboctahedra. Both Rh–Rh bond lengths are 2.70 Å. All Rh–Co bond lengths are 2.59 Å. Co is bonded to six equivalent Ce, four equivalent Rh, and two equivalent Co atoms to form CoCe6Co2Rh4 cuboctahedra that share corners with eight equivalent RhCe6Co4Rh2 cuboctahedra, corners with ten equivalent CoCe6Co2Rh4 cuboctahedra, edges with six equivalent CoCe6Co2Rh4 cuboctahedra, faces with six equivalent CoCe6Co2Rh4 cuboctahedra, and faces with twelve equivalent RhCe6Co4Rh2 cuboctahedra. Both Co–Co bond lengths are 2.53 Å.

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