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DOE OSTI2020

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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DOE OSTI2020

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

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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DOE OSTI2020

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.

36 MATERIALS SCIENCE↗
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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DOE OSTI2020

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.

36 MATERIALS SCIENCE↗
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↗
DOE OSTI2020

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.

36 MATERIALS SCIENCE↗
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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho2(Ga3Rh)3 by Materials Project

Ho2(RhGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Ho–Ga bond distances ranging from 3.02–3.14 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 2.58–2.65 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 2.56–2.64 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to two equivalent Ho, two equivalent Rh, and six Ga atoms. There are four shorter (2.75 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 Ho, three Rh, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.77–2.94 Å. In the third Ga site, Ga is bonded in a 3-coordinate geometry to two equivalent Ho, three Rh, and five Ga atoms. There are one shorter (2.80 Å) and two longer (2.82 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Ho, two equivalent Rh, and six Ga atoms. The Ga–Ga bond length is 2.74 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb(P2Rh3)2 by Materials Project

Yb(Rh3P2)2 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Yb is bonded to six equivalent Rh and six equivalent P atoms to form distorted face-sharing YbP6Rh6 cuboctahedra. All Yb–Rh bond lengths are 3.04 Å. All Yb–P bond lengths are 2.94 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to five P atoms. There are three shorter (2.44 Å) and two longer (2.60 Å) Rh–P bond lengths. In the second Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Yb and four P atoms. There are a spread of Rh–P bond distances ranging from 2.33–2.48 Å. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to nine Rh atoms. In the second P site, P is bonded in a 8-coordinate geometry to two equivalent Yb and six Rh atoms.

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DOE OSTI2020

Materials Data on Ce5(Sn5Rh2)2 by Materials Project

Ce5Rh4Sn10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 8-coordinate geometry to four equivalent Rh and twelve Sn atoms. All Ce–Rh bond lengths are 3.51 Å. There are eight shorter (3.24 Å) and four longer (3.56 Å) Ce–Sn bond lengths. In the second Ce site, Ce is bonded to four equivalent Rh and eight Sn atoms to form face-sharing CeSn8Rh4 cuboctahedra. All Ce–Rh bond lengths are 3.29 Å. There are two shorter (3.16 Å) and six longer (3.34 Å) Ce–Sn bond lengths. In the third Ce site, Ce is bonded in a 8-coordinate geometry to four equivalent Rh and ten Sn atoms. All Ce–Rh bond lengths are 3.65 Å. There are a spread of Ce–Sn bond distances ranging from 3.48–3.60 Å. Rh is bonded in a 10-coordinate geometry to five Ce and five Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.63–2.74 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Ce, two equivalent Rh, and one Sn atom. The Sn–Sn bond length is 2.74 Å. In the second Sn site, Sn is bonded in a 2-coordinate geometry to five Ce and two equivalent Rh atoms. In the third Sn site, Sn is bonded in a 2-coordinate geometry to four Ce and two equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er5(Ge5Rh2)2 by Materials Project

Er5Rh4Ge10 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 8-coordinate geometry to four equivalent Rh and twelve Ge atoms. All Er–Rh bond lengths are 3.22 Å. There are eight shorter (2.98 Å) and four longer (3.35 Å) Er–Ge bond lengths. In the second Er site, Er is bonded to four equivalent Rh and eight Ge atoms to form distorted face-sharing ErGe8Rh4 cuboctahedra. All Er–Rh bond lengths are 3.10 Å. There are a spread of Er–Ge bond distances ranging from 2.95–3.16 Å. In the third Er site, Er is bonded in a 4-coordinate geometry to four equivalent Rh and ten Ge atoms. All Er–Rh bond lengths are 3.34 Å. There are a spread of Er–Ge bond distances ranging from 3.21–3.32 Å. Rh is bonded in a 10-coordinate geometry to five Er 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 9-coordinate geometry to six Er, 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 Er, two equivalent Rh, and three Ge atoms. There are one shorter (2.56 Å) and two longer (3.02 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 2-coordinate geometry to four Er, two equivalent Rh, and four Ge atoms. Both Ge–Ge bond lengths are 2.94 Å.

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Materials Data on Tb5(Ge5Rh2)2 by Materials Project

Tb5(Rh2Ge5)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 8-coordinate geometry to four equivalent Rh and twelve Ge atoms. All Tb–Rh bond lengths are 3.23 Å. There are eight shorter (3.01 Å) and four longer (3.36 Å) Tb–Ge bond lengths. In the second Tb site, Tb is bonded to four equivalent Rh and eight Ge atoms to form face-sharing TbGe8Rh4 cuboctahedra. All Tb–Rh bond lengths are 3.13 Å. There are a spread of Tb–Ge bond distances ranging from 2.96–3.13 Å. In the third Tb site, Tb is bonded in a 8-coordinate geometry to four equivalent Rh and ten Ge atoms. All Tb–Rh bond lengths are 3.35 Å. There are a spread of Tb–Ge bond distances ranging from 3.26–3.34 Å. Rh is bonded in a 10-coordinate geometry to five Tb 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 Tb, 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 Tb, 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 Tb and two equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U(GeRh)2 by Materials Project

URh2Ge2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to eight Rh and eight Ge atoms. There are four shorter (3.19 Å) and four longer (3.35 Å) U–Rh bond lengths. There are four shorter (3.23 Å) and four longer (3.25 Å) U–Ge bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to four equivalent U and four equivalent Ge atoms to form distorted RhU4Ge4 tetrahedra that share corners with twelve equivalent GeU4Rh4 tetrahedra, edges with two equivalent GeU4Rh4 tetrahedra, edges with four equivalent RhU4Ge4 tetrahedra, and faces with four equivalent RhU4Ge4 tetrahedra. All Rh–Ge bond lengths are 2.49 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to four equivalent U and five Ge atoms. There are one shorter (2.42 Å) and four longer (2.49 Å) Rh–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent U and four equivalent Rh atoms to form distorted GeU4Rh4 tetrahedra that share corners with twelve equivalent RhU4Ge4 tetrahedra, edges with two equivalent RhU4Ge4 tetrahedra, edges with four equivalent GeU4Rh4 tetrahedra, and faces with four equivalent GeU4Rh4 tetrahedra. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U and five Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2(B2Rh3)3 by Materials Project

Dy2(Rh3B2)3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to six equivalent Rh atoms. All Dy–Rh bond lengths are 3.02 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Dy 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 2.16 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 six Rh atoms.

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