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DOE OSTI2020

Materials Data on GeRh3 by Materials Project

Rh3Ge is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rh is bonded to eight equivalent Rh and four equivalent Ge atoms to form distorted RhGe4Rh8 cuboctahedra that share corners with four equivalent GeRh12 cuboctahedra, corners with fourteen equivalent RhGe4Rh8 cuboctahedra, edges with six equivalent GeRh12 cuboctahedra, edges with twelve equivalent RhGe4Rh8 cuboctahedra, faces with four equivalent GeRh12 cuboctahedra, and faces with sixteen equivalent RhGe4Rh8 cuboctahedra. There are four shorter (2.70 Å) and four longer (2.76 Å) Rh–Rh bond lengths. There are two shorter (2.70 Å) and two longer (2.76 Å) Rh–Ge bond lengths. Ge is bonded to twelve equivalent Rh atoms to form GeRh12 cuboctahedra that share corners with six equivalent GeRh12 cuboctahedra, corners with twelve equivalent RhGe4Rh8 cuboctahedra, edges with eighteen equivalent RhGe4Rh8 cuboctahedra, faces with eight equivalent GeRh12 cuboctahedra, and faces with twelve equivalent RhGe4Rh8 cuboctahedra.

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DOE OSTI2020

Materials Data on MoRh by Materials Project

MoRh crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Mo is bonded to six equivalent Mo and six equivalent Rh atoms to form MoMo6Rh6 cuboctahedra that share corners with eighteen equivalent MoMo6Rh6 cuboctahedra, edges with six equivalent MoMo6Rh6 cuboctahedra, edges with twelve equivalent RhMo6Rh6 cuboctahedra, faces with eight equivalent MoMo6Rh6 cuboctahedra, and faces with twelve equivalent RhMo6Rh6 cuboctahedra. All Mo–Mo bond lengths are 2.80 Å. All Mo–Rh bond lengths are 2.74 Å. Rh is bonded to six equivalent Mo and six equivalent Rh atoms to form RhMo6Rh6 cuboctahedra that share corners with eighteen equivalent RhMo6Rh6 cuboctahedra, edges with six equivalent RhMo6Rh6 cuboctahedra, edges with twelve equivalent MoMo6Rh6 cuboctahedra, faces with eight equivalent RhMo6Rh6 cuboctahedra, and faces with twelve equivalent MoMo6Rh6 cuboctahedra. All Rh–Rh bond lengths are 2.80 Å.

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DOE OSTI2020

Materials Data on AlRh3 by Materials Project

Rh3Al is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rh is bonded to eight equivalent Rh and four equivalent Al atoms to form distorted RhAl4Rh8 cuboctahedra that share corners with four equivalent AlRh12 cuboctahedra, corners with fourteen equivalent RhAl4Rh8 cuboctahedra, edges with six equivalent AlRh12 cuboctahedra, edges with twelve equivalent RhAl4Rh8 cuboctahedra, faces with four equivalent AlRh12 cuboctahedra, and faces with sixteen equivalent RhAl4Rh8 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.70–2.75 Å. There are two shorter (2.69 Å) and two longer (2.73 Å) Rh–Al bond lengths. Al is bonded to twelve equivalent Rh atoms to form AlRh12 cuboctahedra that share corners with six equivalent AlRh12 cuboctahedra, corners with twelve equivalent RhAl4Rh8 cuboctahedra, edges with eighteen equivalent RhAl4Rh8 cuboctahedra, faces with eight equivalent AlRh12 cuboctahedra, and faces with twelve equivalent RhAl4Rh8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdSi3Rh by Materials Project

NdRhSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to five equivalent Rh and twelve Si atoms. There are four shorter (3.37 Å) and one longer (3.41 Å) Nd–Rh bond lengths. There are a spread of Nd–Si bond distances ranging from 3.12–3.36 Å. Rh is bonded in a 5-coordinate geometry to five equivalent Nd and five Si atoms. There are four shorter (2.37 Å) and one longer (2.39 Å) Rh–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Nd, one Rh, and four equivalent Si atoms. All Si–Si bond lengths are 2.60 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Nd, two equivalent Rh, and two equivalent Si atoms.

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DOE OSTI2020

Materials Data on EuGe7Rh3 by Materials Project

EuRh3Ge7 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Eu is bonded in a 6-coordinate geometry to six equivalent Rh and twelve equivalent Ge atoms. All Eu–Rh bond lengths are 3.24 Å. There are six shorter (3.28 Å) and six longer (3.30 Å) Eu–Ge bond lengths. Rh is bonded in a 9-coordinate geometry to two equivalent Eu and seven Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.53–2.65 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a trigonal planar geometry to three equivalent Rh atoms. In the second Ge site, Ge is bonded in a 3-coordinate geometry to two equivalent Eu and three equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoRh3 by Materials Project

Rh3Co1 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rh is bonded to eight equivalent Rh and four equivalent Co atoms to form distorted RhCo4Rh8 cuboctahedra that share corners with twelve equivalent RhCo4Rh8 cuboctahedra, edges with eight equivalent CoRh12 cuboctahedra, edges with sixteen equivalent RhCo4Rh8 cuboctahedra, faces with four equivalent CoRh12 cuboctahedra, and faces with fourteen equivalent RhCo4Rh8 cuboctahedra. All Rh–Rh bond lengths are 2.66 Å. All Rh–Co bond lengths are 2.66 Å. Co is bonded to twelve equivalent Rh atoms to form CoRh12 cuboctahedra that share corners with twelve equivalent CoRh12 cuboctahedra, edges with twenty-four equivalent RhCo4Rh8 cuboctahedra, faces with six equivalent CoRh12 cuboctahedra, and faces with twelve equivalent RhCo4Rh8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSi3Rh by Materials Project

CeRhSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to five equivalent Rh and twelve Si atoms. There are one shorter (3.34 Å) and four longer (3.37 Å) Ce–Rh bond lengths. There are eight shorter (3.10 Å) and four longer (3.37 Å) Ce–Si bond lengths. Rh is bonded in a 5-coordinate geometry to five equivalent Ce and five Si atoms. There are one shorter (2.36 Å) and four longer (2.37 Å) Rh–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Ce, one Rh, and four equivalent Si atoms. All Si–Si bond lengths are 2.57 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Ce, two equivalent Rh, and two equivalent Si atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Mo2Rh by Materials Project

Mo2Rh is beta-derived structured and crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Mo is bonded to eight equivalent Mo and four equivalent Rh atoms to form distorted MoMo8Rh4 cuboctahedra that share corners with four equivalent RhMo8Rh4 cuboctahedra, corners with eight equivalent MoMo8Rh4 cuboctahedra, edges with twelve equivalent MoMo8Rh4 cuboctahedra, edges with twelve equivalent RhMo8Rh4 cuboctahedra, faces with five equivalent RhMo8Rh4 cuboctahedra, and faces with thirteen equivalent MoMo8Rh4 cuboctahedra. There are a spread of Mo–Mo bond distances ranging from 2.72–2.99 Å. There are two shorter (2.73 Å) and two longer (2.80 Å) Mo–Rh bond lengths. Rh is bonded to eight equivalent Mo and four equivalent Rh atoms to form RhMo8Rh4 cuboctahedra that share corners with four equivalent RhMo8Rh4 cuboctahedra, corners with eight equivalent MoMo8Rh4 cuboctahedra, edges with twenty-four equivalent MoMo8Rh4 cuboctahedra, faces with eight equivalent RhMo8Rh4 cuboctahedra, and faces with ten equivalent MoMo8Rh4 cuboctahedra. All Rh–Rh bond lengths are 2.72 Å.

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Materials Data on MnGeRh by Materials Project

MnRhGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mn is bonded in a 11-coordinate geometry to six equivalent Rh and five Ge atoms. There are two shorter (2.84 Å) and four longer (2.97 Å) Mn–Rh bond lengths. All Mn–Ge bond lengths are 2.69 Å. Rh is bonded in a 10-coordinate geometry to six equivalent Mn and four Ge atoms. There are two shorter (2.47 Å) and two longer (2.48 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 six equivalent Mn and three equivalent Rh atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Mn and six equivalent Rh atoms.

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DOE OSTI2020

Materials Data on OsRh3 by Materials Project

Rh3Os is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Os is bonded to twelve equivalent Rh atoms to form OsRh12 cuboctahedra that share corners with six equivalent OsRh12 cuboctahedra, corners with twelve equivalent RhOs4Rh8 cuboctahedra, edges with eighteen equivalent RhOs4Rh8 cuboctahedra, faces with eight equivalent OsRh12 cuboctahedra, and faces with twelve equivalent RhOs4Rh8 cuboctahedra. There are six shorter (2.70 Å) and six longer (2.75 Å) Os–Rh bond lengths. Rh is bonded to four equivalent Os and eight equivalent Rh atoms to form RhOs4Rh8 cuboctahedra that share corners with four equivalent OsRh12 cuboctahedra, corners with fourteen equivalent RhOs4Rh8 cuboctahedra, edges with six equivalent OsRh12 cuboctahedra, edges with twelve equivalent RhOs4Rh8 cuboctahedra, faces with four equivalent OsRh12 cuboctahedra, and faces with sixteen equivalent RhOs4Rh8 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.71–2.77 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on In2Rh3S2 by Materials Project

Rh3In2S2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rh is bonded to four In and two equivalent S atoms to form distorted RhIn4S2 octahedra that share corners with two equivalent InRh6S2 hexagonal bipyramids, corners with twelve equivalent RhIn4S2 octahedra, and faces with four equivalent RhIn4S2 octahedra. The corner-sharing octahedra tilt angles range from 0–61°. There are two shorter (2.82 Å) and two longer (2.85 Å) Rh–In bond lengths. Both Rh–S bond lengths are 2.31 Å. There are two inequivalent In sites. In the first In site, In is bonded in a distorted hexagonal planar geometry to six equivalent Rh atoms. In the second In site, In is bonded to six equivalent Rh and two equivalent S atoms to form InRh6S2 hexagonal bipyramids that share corners with six equivalent InRh6S2 hexagonal bipyramids and corners with six equivalent RhIn4S2 octahedra. The corner-sharing octahedral tilt angles are 46°. Both In–S bond lengths are 2.95 Å. S is bonded in a 4-coordinate geometry to three equivalent Rh and one In atom.

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Materials Data on FePRh by Materials Project

FeRhP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Fe is bonded in a 11-coordinate geometry to six equivalent Rh and five P atoms. There are two shorter (2.76 Å) and four longer (2.77 Å) Fe–Rh bond lengths. There are one shorter (2.38 Å) and four longer (2.61 Å) Fe–P bond lengths. Rh is bonded in a 10-coordinate geometry to six equivalent Fe and four P atoms. There are two shorter (2.26 Å) and two longer (2.44 Å) Rh–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to six equivalent Fe and three equivalent Rh atoms. In the second P site, P is bonded in a 9-coordinate geometry to three equivalent Fe and six equivalent Rh atoms.

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Materials Data on IrRh3 by Materials Project

IrRh3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ir is bonded to twelve equivalent Rh atoms to form IrRh12 cuboctahedra that share corners with twelve equivalent IrRh12 cuboctahedra, edges with twenty-four equivalent RhIr4Rh8 cuboctahedra, faces with six equivalent IrRh12 cuboctahedra, and faces with twelve equivalent RhIr4Rh8 cuboctahedra. All Ir–Rh bond lengths are 2.73 Å. Rh is bonded to four equivalent Ir and eight equivalent Rh atoms to form RhIr4Rh8 cuboctahedra that share corners with twelve equivalent RhIr4Rh8 cuboctahedra, edges with eight equivalent IrRh12 cuboctahedra, edges with sixteen equivalent RhIr4Rh8 cuboctahedra, faces with four equivalent IrRh12 cuboctahedra, and faces with fourteen equivalent RhIr4Rh8 cuboctahedra. All Rh–Rh bond lengths are 2.73 Å.

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Materials Data on DyB4(IrRh)2 by Materials Project

DyB4(IrRh)2 crystallizes in the tetragonal P4_2mc space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six equivalent Ir, six equivalent Rh, and twelve B atoms. There are two shorter (2.99 Å) and four longer (3.20 Å) Dy–Ir bond lengths. There are two shorter (2.97 Å) and four longer (3.20 Å) Dy–Rh bond lengths. There are a spread of Dy–B bond distances ranging from 3.05–3.16 Å. Ir is bonded in a 12-coordinate geometry to three equivalent Dy and five B atoms. There are a spread of Ir–B bond distances ranging from 2.22–2.27 Å. Rh is bonded in a 5-coordinate geometry to three equivalent Dy and five B atoms. There are a spread of Rh–B bond distances ranging from 2.22–2.25 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Dy, three equivalent Ir, two equivalent Rh, and one B atom. The B–B bond length is 1.84 Å. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Dy, two equivalent Ir, three equivalent Rh, and one B atom. The B–B bond length is 1.83 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe2PtRh by Materials Project

Fe2RhPt is Tetraauricupride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Fe is bonded to four equivalent Fe, four equivalent Rh, and four equivalent Pt atoms to form distorted FeFe4Pt4Rh4 cuboctahedra that share corners with twelve equivalent FeFe4Pt4Rh4 cuboctahedra, edges with eight equivalent FeFe4Pt4Rh4 cuboctahedra, edges with eight equivalent RhFe8Rh4 cuboctahedra, edges with eight equivalent PtFe8Pt4 cuboctahedra, faces with four equivalent RhFe8Rh4 cuboctahedra, faces with four equivalent PtFe8Pt4 cuboctahedra, and faces with ten equivalent FeFe4Pt4Rh4 cuboctahedra. All Fe–Fe bond lengths are 2.64 Å. All Fe–Rh bond lengths are 2.59 Å. All Fe–Pt bond lengths are 2.65 Å. Rh is bonded to eight equivalent Fe and four equivalent Rh atoms to form distorted RhFe8Rh4 cuboctahedra that share corners with four equivalent RhFe8Rh4 cuboctahedra, corners with eight equivalent PtFe8Pt4 cuboctahedra, edges with eight equivalent PtFe8Pt4 cuboctahedra, edges with sixteen equivalent FeFe4Pt4Rh4 cuboctahedra, faces with two equivalent PtFe8Pt4 cuboctahedra, faces with eight equivalent FeFe4Pt4Rh4 cuboctahedra, and faces with eight equivalent RhFe8Rh4 cuboctahedra. All Rh–Rh bond lengths are 2.64 Å. Pt is bonded to eight equivalent Fe and four equivalent Pt atoms to form distorted PtFe8Pt4 cuboctahedra that share corners with four equivalent PtFe8Pt4 cuboctahedra, corners with eight equivalent RhFe8Rh4 cuboctahedra, edges with eight equivalent RhFe8Rh4 cuboctahedra, edges with sixteen equivalent FeFe4Pt4Rh4 cuboctahedra, faces with two equivalent RhFe8Rh4 cuboctahedra, faces with eight equivalent FeFe4Pt4Rh4 cuboctahedra, and faces with eight equivalent PtFe8Pt4 cuboctahedra. All Pt–Pt bond lengths are 2.64 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeRh3 by Materials Project

Rh3Fe is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe is bonded to twelve equivalent Rh atoms to form FeRh12 cuboctahedra that share corners with six equivalent FeRh12 cuboctahedra, corners with twelve equivalent RhFe4Rh8 cuboctahedra, edges with eighteen equivalent RhFe4Rh8 cuboctahedra, faces with eight equivalent FeRh12 cuboctahedra, and faces with twelve equivalent RhFe4Rh8 cuboctahedra. There are six shorter (2.67 Å) and six longer (2.72 Å) Fe–Rh bond lengths. Rh is bonded to four equivalent Fe and eight equivalent Rh atoms to form distorted RhFe4Rh8 cuboctahedra that share corners with four equivalent FeRh12 cuboctahedra, corners with fourteen equivalent RhFe4Rh8 cuboctahedra, edges with six equivalent FeRh12 cuboctahedra, edges with twelve equivalent RhFe4Rh8 cuboctahedra, faces with four equivalent FeRh12 cuboctahedra, and faces with sixteen equivalent RhFe4Rh8 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.68–2.75 Å.

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Materials Data on RhF6 by Materials Project

RhF6 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four 13693-07-7 molecules. Rh is bonded in an octahedral geometry to six F atoms. There is three shorter (1.87 Å) and three longer (1.88 Å) Rh–F bond length. There are four inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Rh atom. In the second F site, F is bonded in a single-bond geometry to one Rh atom. In the third F site, F is bonded in a single-bond geometry to one Rh atom. In the fourth F site, F is bonded in a single-bond geometry to one Rh atom.

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DOE OSTI2020

Materials Data on EuSi3Rh by Materials Project

EuRhSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Eu is bonded in a 4-coordinate geometry to four equivalent Rh and twelve Si atoms. All Eu–Rh bond lengths are 3.36 Å. There are a spread of Eu–Si bond distances ranging from 3.11–3.37 Å. Rh is bonded in a 5-coordinate geometry to four equivalent Eu and five Si atoms. There are four shorter (2.38 Å) and one longer (2.39 Å) Rh–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Eu, one Rh, and four equivalent Si atoms. All Si–Si bond lengths are 2.59 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Eu, two equivalent Rh, and two equivalent Si atoms.

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