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DOE OSTI2020

Materials Data on Yb(As2Rh3)2 by Materials Project

Yb(Rh3As2)2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Yb is bonded to six equivalent Rh and six equivalent As atoms to form face-sharing YbAs6Rh6 cuboctahedra. All Yb–Rh bond lengths are 3.15 Å. All Yb–As bond lengths are 3.05 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to five As atoms. There are one shorter (2.55 Å) and four longer (2.59 Å) Rh–As bond lengths. In the second Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Yb and four As atoms. There are two shorter (2.45 Å) and two longer (2.55 Å) Rh–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 8-coordinate geometry to two equivalent Yb and six Rh atoms. In the second As site, As is bonded in a 9-coordinate geometry to nine Rh atoms.

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Materials Data on Tm5(Ge5Rh2)2 by Materials Project

Tm5Rh4Ge10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Tm sites. In the first Tm site, Tm is bonded in a 12-coordinate geometry to four equivalent Rh and ten Ge atoms. All Tm–Rh bond lengths are 3.31 Å. There are a spread of Tm–Ge bond distances ranging from 3.23–3.36 Å. In the second Tm site, Tm is bonded to four equivalent Rh and eight Ge atoms to form face-sharing TmGe8Rh4 cuboctahedra. All Tm–Rh bond lengths are 3.10 Å. There are a spread of Tm–Ge bond distances ranging from 2.90–3.12 Å. In the third Tm site, Tm is bonded in a 8-coordinate geometry to four equivalent Rh and twelve Ge atoms. All Tm–Rh bond lengths are 3.21 Å. There are eight shorter (2.95 Å) and four longer (3.35 Å) Tm–Ge bond lengths. Rh is bonded in a 5-coordinate geometry to five Tm and five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.44–2.57 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four Tm, two equivalent Rh, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.88 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Tm, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.53 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Tm, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.46 Å.

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Materials Data on Ho5(Ge5Rh2)2 by Materials Project

Ho5(Rh2Ge5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded in a 8-coordinate geometry to four equivalent Rh and twelve Ge atoms. All Ho–Rh bond lengths are 3.22 Å. There are eight shorter (2.98 Å) and four longer (3.36 Å) Ho–Ge bond lengths. In the second Ho site, Ho is bonded in a 12-coordinate geometry to four equivalent Rh and ten Ge atoms. All Ho–Rh bond lengths are 3.33 Å. There are a spread of Ho–Ge bond distances ranging from 3.24–3.35 Å. In the third Ho site, Ho is bonded to four equivalent Rh and eight Ge atoms to form face-sharing HoGe8Rh4 cuboctahedra. All Ho–Rh bond lengths are 3.12 Å. There are a spread of Ho–Ge bond distances ranging from 2.93–3.14 Å. Rh is bonded in a 5-coordinate geometry to five Ho 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 Ho, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.47 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to five Ho, two equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.54 Å. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Ho and two equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr3Rh5 by Materials Project

Zr3Rh5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 9-coordinate geometry to nine Rh atoms. There are a spread of Zr–Rh bond distances ranging from 2.63–2.99 Å. In the second Zr site, Zr is bonded in a 10-coordinate geometry to ten Rh atoms. There are a spread of Zr–Rh bond distances ranging from 2.75–2.98 Å. There are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to six Zr atoms. In the second Rh site, Rh is bonded in a 6-coordinate geometry to six Zr atoms. In the third Rh site, Rh is bonded in a 5-coordinate geometry to five Zr atoms.

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DOE OSTI2020

Materials Data on Mg5Rh2 by Materials Project

Mg5Rh2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to six equivalent Rh atoms. All Mg–Rh bond lengths are 2.72 Å. In the second Mg site, Mg is bonded in a 3-coordinate geometry to three Rh atoms. There are two shorter (2.75 Å) and one longer (3.08 Å) Mg–Rh bond lengths. In the third Mg site, Mg is bonded in a 2-coordinate geometry to four Rh atoms. There are a spread of Mg–Rh bond distances ranging from 2.60–2.93 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to nine Mg atoms. In the second Rh site, Rh is bonded in a 10-coordinate geometry to ten Mg atoms.

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Materials Data on Rh3Se8 by Materials Project

Rh3Se8 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Rh+3.33+ sites. In the first Rh+3.33+ site, Rh+3.33+ is bonded to six Se+1.25- atoms to form RhSe6 octahedra that share corners with eight RhSe6 octahedra and corners with two equivalent SeRh3Se tetrahedra. The corner-sharing octahedra tilt angles range from 63–66°. There are a spread of Rh–Se bond distances ranging from 2.49–2.57 Å. In the second Rh+3.33+ site, Rh+3.33+ is bonded to six Se+1.25- atoms to form corner-sharing RhSe6 octahedra. The corner-sharing octahedra tilt angles range from 63–66°. There are a spread of Rh–Se bond distances ranging from 2.52–2.54 Å. There are four inequivalent Se+1.25- sites. In the first Se+1.25- site, Se+1.25- is bonded to three Rh+3.33+ and one Se+1.25- atom to form distorted SeRh3Se tetrahedra that share corners with two equivalent RhSe6 octahedra and corners with three equivalent SeRh3Se tetrahedra. The corner-sharing octahedra tilt angles range from 79–80°. The Se–Se bond length is 2.46 Å. In the second Se+1.25- site, Se+1.25- is bonded in a 2-coordinate geometry to two equivalent Rh+3.33+ and one Se+1.25- atom. In the third Se+1.25- site, Se+1.25- is bonded in a 3-coordinate geometry to two Rh+3.33+ and one Se+1.25- atom. The Se–Se bond length is 2.44 Å. In the fourth Se+1.25- site, Se+1.25- is bonded in a 3-coordinate geometry to two Rh+3.33+ and one Se+1.25- atom. The Se–Se bond length is 2.45 Å.

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Materials Data on Ce(PRh)2 by Materials Project

Ce(RhP)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eight Rh and eight P atoms. There are four shorter (3.19 Å) and four longer (3.21 Å) Ce–Rh bond lengths. There are four shorter (3.12 Å) and four longer (3.15 Å) Ce–P bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to four equivalent Ce and five P atoms. There are four shorter (2.35 Å) and one longer (2.36 Å) Rh–P bond lengths. In the second Rh site, Rh is bonded in a 12-coordinate geometry to four equivalent Ce and four equivalent P atoms. All Rh–P bond lengths are 2.47 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 8-coordinate geometry to four equivalent Ce and four equivalent Rh atoms. In the second P site, P is bonded in a 9-coordinate geometry to four equivalent Ce and five Rh atoms.

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Materials Data on Na(RhO2)2 by Materials Project

NaRh2O4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.42–2.55 Å. There are two inequivalent Rh+3.50+ sites. In the first Rh+3.50+ site, Rh+3.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 50–59°. There are a spread of Rh–O bond distances ranging from 2.02–2.07 Å. In the second Rh+3.50+ site, Rh+3.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 50–59°. There are two shorter (2.04 Å) and four longer (2.06 Å) Rh–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three Rh+3.50+ atoms. In the second O2- site, O2- is bonded to two equivalent Na1+ and three equivalent Rh+3.50+ atoms to form a mixture of distorted edge and corner-sharing ONa2Rh3 square pyramids. In the third O2- site, O2- is bonded to two equivalent Na1+ and three Rh+3.50+ atoms to form a mixture of distorted edge and corner-sharing ONa2Rh3 trigonal bipyramids. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Na1+ and three equivalent Rh+3.50+ atoms.

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Materials Data on Eu2(Ga3Rh)3 by Materials Project

Eu2(RhGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Eu–Ga bond distances ranging from 3.11–3.18 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 a spread of Rh–Ga bond distances ranging from 2.62–2.65 Å. 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 2.64–2.66 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Eu, three Rh, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.80–3.00 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Eu, two equivalent Rh, and six Ga atoms. Both Ga–Ga bond lengths are 2.76 Å. In the third Ga site, Ga is bonded in a 3-coordinate geometry to two equivalent Eu, three Rh, and five Ga atoms. There are one shorter (2.76 Å) and two longer (2.91 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Eu, two equivalent Rh, and six Ga atoms. The Ga–Ga bond length is 2.75 Å.

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Materials Data on Nd(Sn2Rh)2 by Materials Project

NdRh2Sn4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to seven Sn atoms. There are a spread of Nd–Sn bond distances ranging from 3.20–3.38 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 2.73–2.84 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 2.71–2.89 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to two equivalent Nd and three equivalent Rh atoms. In the second Sn site, Sn is bonded to four Rh atoms to form a mixture of distorted edge and corner-sharing SnRh4 tetrahedra. In the third Sn site, Sn is bonded in a 6-coordinate geometry to two equivalent Nd and four Rh atoms. In the fourth Sn site, Sn is bonded in a 3-coordinate geometry to three equivalent Nd and three equivalent Rh atoms.

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Materials Data on Rh3F by Materials Project

Rh3F is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to four equivalent Rh and four equivalent F atoms to form a mixture of distorted edge, face, and corner-sharing RhRh4F4 tetrahedra. All Rh–Rh bond lengths are 2.61 Å. All Rh–F bond lengths are 2.61 Å. In the second Rh site, Rh is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. F is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.

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Materials Data on U2(Ga3Rh)3 by Materials Project

U2Rh3Ga9 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of U–Ga bond distances ranging from 3.03–3.17 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 a spread of Rh–Ga bond distances ranging from 2.57–2.66 Å. 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 2.56–2.65 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent U, two equivalent Rh, and six Ga atoms. There are four shorter (2.76 Å) and two longer (2.77 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent U, three Rh, and three Ga atoms. There are one shorter (2.79 Å) and one longer (2.88 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 3-coordinate geometry to two equivalent U, three Rh, and five Ga atoms. There are two shorter (2.81 Å) and one longer (2.84 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent U, two equivalent Rh, and six Ga atoms. The Ga–Ga bond length is 2.73 Å.

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DOE OSTI2020

Materials Data on Tb2(Al3Rh)3 by Materials Project

Tb2(RhAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of Tb–Al bond distances ranging from 3.06–3.16 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 a spread of Rh–Al bond distances ranging from 2.56–2.63 Å. 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 2.57–2.62 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tb and two equivalent Rh atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Tb and three Rh atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Tb and three Rh atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Tb and two equivalent Rh atoms.

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Materials Data on Gd2P7Rh12 by Materials Project

Gd2Rh12P7 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Gd is bonded to six equivalent Rh and six equivalent P atoms to form distorted GdP6Rh6 cuboctahedra that share corners with twelve equivalent RhP4 tetrahedra, edges with three equivalent RhP4 tetrahedra, and faces with two equivalent GdP6Rh6 cuboctahedra. All Gd–Rh bond lengths are 3.06 Å. There are three shorter (3.03 Å) and three longer (3.04 Å) Gd–P bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Gd and four equivalent P atoms. There are a spread of Rh–P bond distances ranging from 2.34–2.58 Å. In the second Rh site, Rh is bonded to four P atoms to form distorted RhP4 tetrahedra that share corners with four equivalent GdP6Rh6 cuboctahedra, corners with seven equivalent RhP4 tetrahedra, an edgeedge with one GdP6Rh6 cuboctahedra, and edges with two equivalent RhP4 tetrahedra. There are a spread of Rh–P bond distances ranging from 2.34–2.50 Å. There are two inequivalent P sites. In the first P site, P is bonded in a distorted octahedral geometry to six equivalent Rh atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Gd and seven Rh atoms.

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DOE OSTI2020

Materials Data on Dy2(Al3Rh)3 by Materials Project

Dy2(RhAl3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of Dy–Al bond distances ranging from 3.05–3.13 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 a spread of Rh–Al bond distances ranging from 2.56–2.63 Å. 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 2.55–2.61 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Dy and two equivalent Rh atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Dy and three Rh atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to two equivalent Dy and three Rh atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Dy and two equivalent Rh atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Tb2(B2Rh3)3 by Materials Project

Tb2(Rh3B2)3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to six equivalent Rh atoms. All Tb–Rh bond lengths are 3.02 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Tb and four B atoms. There are two shorter (2.15 Å) and two longer (2.17 Å) Rh–B bond lengths. In the second Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent B atoms. All Rh–B bond lengths are 2.17 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 six Rh atoms.

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DOE OSTI2020

Materials Data on Sc6Ga16Rh7 by Materials Project

Sc6Rh7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to four equivalent Rh and eight Ga atoms. All Sc–Rh bond lengths are 3.16 Å. There are four shorter (2.89 Å) and four longer (3.01 Å) Sc–Ga bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to four equivalent Sc and eight Ga atoms to form a mixture of distorted corner and face-sharing RhSc4Ga8 cuboctahedra. There are four shorter (2.55 Å) and four longer (2.73 Å) Rh–Ga bond lengths. In the second Rh site, Rh is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Rh–Ga bond lengths are 2.63 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Sc and three equivalent Rh atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to three equivalent Sc and four Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on B3Rh7 by Materials Project

Rh7B3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 3-coordinate geometry to three equivalent B atoms. There are one shorter (2.09 Å) and two longer (2.22 Å) Rh–B bond lengths. In the second Rh site, Rh is bonded in a 3-coordinate geometry to three equivalent B atoms. All Rh–B bond lengths are 2.23 Å. In the third Rh site, Rh is bonded in a distorted water-like geometry to two equivalent B atoms. Both Rh–B bond lengths are 2.14 Å. B is bonded in a 6-coordinate geometry to six Rh atoms.

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