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At least 649 records · Page 36
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DOE OSTI2020

Materials Data on Sm2GeRh3 by Materials Project

Sm2Rh3Ge crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm is bonded in a 9-coordinate geometry to four equivalent Sm, nine equivalent Rh, and three equivalent Ge atoms. There are one shorter (3.10 Å) and three longer (3.40 Å) Sm–Sm bond lengths. There are three shorter (2.96 Å) and six longer (3.23 Å) Sm–Rh bond lengths. All Sm–Ge bond lengths are 3.31 Å. Rh is bonded to six equivalent Sm, four equivalent Rh, and two equivalent Ge atoms to form distorted RhSm6Ge2Rh4 cuboctahedra that share corners with four equivalent GeSm6Rh6 cuboctahedra, corners with fourteen equivalent RhSm6Ge2Rh4 cuboctahedra, edges with six equivalent RhSm6Ge2Rh4 cuboctahedra, faces with six equivalent GeSm6Rh6 cuboctahedra, and faces with twelve equivalent RhSm6Ge2Rh4 cuboctahedra. All Rh–Rh bond lengths are 2.84 Å. Both Rh–Ge bond lengths are 2.59 Å. Ge is bonded to six equivalent Sm and six equivalent Rh atoms to form distorted GeSm6Rh6 cuboctahedra that share corners with six equivalent GeSm6Rh6 cuboctahedra, corners with twelve equivalent RhSm6Ge2Rh4 cuboctahedra, edges with six equivalent GeSm6Rh6 cuboctahedra, and faces with eighteen equivalent RhSm6Ge2Rh4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y3(SiRh)2 by Materials Project

Y3(RhSi)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to four equivalent Rh and five Si atoms. There are a spread of Y–Rh bond distances ranging from 2.90–3.10 Å. There are a spread of Y–Si bond distances ranging from 2.96–3.40 Å. In the second Y site, Y is bonded in a 9-coordinate geometry to four equivalent Rh and five Si atoms. There are two shorter (3.02 Å) and two longer (3.10 Å) Y–Rh bond lengths. There are a spread of Y–Si bond distances ranging from 2.97–3.28 Å. Rh is bonded in a 9-coordinate geometry to six Y and three Si atoms. There are a spread of Rh–Si bond distances ranging from 2.49–2.52 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to seven Y and two equivalent Rh atoms. In the second Si site, Si is bonded in a 12-coordinate geometry to eight Y and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiAsRh by Materials Project

TiRhAs crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti is bonded in a 11-coordinate geometry to six equivalent Rh and five equivalent As atoms. There are a spread of Ti–Rh bond distances ranging from 2.93–3.08 Å. There are a spread of Ti–As bond distances ranging from 2.66–2.80 Å. Rh is bonded in a 12-coordinate geometry to six equivalent Ti, two equivalent Rh, and four equivalent As atoms. Both Rh–Rh bond lengths are 2.83 Å. There are a spread of Rh–As bond distances ranging from 2.44–2.56 Å. As is bonded in a 9-coordinate geometry to five equivalent Ti and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Bi9Rh2I3 by Materials Project

Rh2Bi9I(I)2 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of four hydriodic acid molecules and one Rh2Bi9I ribbon oriented in the (0, 1, 0) direction. In the Rh2Bi9I ribbon, Rh is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of Rh–Bi bond distances ranging from 2.80–2.92 Å. There are six inequivalent Bi sites. In the first Bi site, Bi is bonded in a distorted L-shaped geometry to two equivalent Rh atoms. In the second Bi site, Bi is bonded in an L-shaped geometry to two equivalent Rh and one Bi atom. The Bi–Bi bond length is 3.27 Å. In the third Bi site, Bi is bonded in a 2-coordinate geometry to two equivalent Rh, three Bi, and one I atom. Both Bi–Bi bond lengths are 3.24 Å. The Bi–I bond length is 3.54 Å. In the fourth Bi site, Bi is bonded in a distorted single-bond geometry to one Rh and one Bi atom. In the fifth Bi site, Bi is bonded in a 6-coordinate geometry to two equivalent Rh atoms. In the sixth Bi site, Bi is bonded in a 7-coordinate geometry to two equivalent Rh atoms. I is bonded in a distorted single-bond geometry to one Bi atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Bi3Rh by Materials Project

RhBi3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two RhBi3 ribbons oriented in the (1, 0, 0) direction. Rh is bonded in a 9-coordinate geometry to two equivalent Rh and seven Bi atoms. Both Rh–Rh bond lengths are 2.87 Å. There are a spread of Rh–Bi bond distances ranging from 2.79–2.89 Å. There are three inequivalent Bi sites. In the first Bi site, Bi is bonded in a single-bond geometry to one Rh atom. In the second Bi site, Bi is bonded in a 3-coordinate geometry to three equivalent Rh atoms. In the third Bi site, Bi is bonded in a 3-coordinate geometry to three equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3Ga3Rh2 by Materials Project

Ca3Rh2Ga3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 10-coordinate geometry to three equivalent Rh and seven Ga atoms. There are a spread of Ca–Rh bond distances ranging from 3.09–3.24 Å. There are a spread of Ca–Ga bond distances ranging from 3.15–3.44 Å. In the second Ca site, Ca is bonded in a 7-coordinate geometry to four equivalent Rh and five Ga atoms. There are two shorter (3.22 Å) and two longer (3.38 Å) Ca–Rh bond lengths. There are a spread of Ca–Ga bond distances ranging from 2.98–3.38 Å. Rh is bonded in a 4-coordinate geometry to five Ca and four Ga atoms. There are a spread of Rh–Ga bond distances ranging from 2.49–2.55 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to seven Ca and two equivalent Rh atoms. In the second Ga site, Ga is bonded in a 3-coordinate geometry to six Ca and three equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnRh2 by Materials Project

Rh2Sn is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 4-coordinate geometry to five equivalent Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.67–2.96 Å. In the second Rh site, Rh is bonded in a 12-coordinate geometry to five equivalent Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.71–2.96 Å. Sn is bonded in a 10-coordinate geometry to ten Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2InRh2 by Materials Project

Nd2Rh2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to six equivalent Rh and four equivalent In atoms. There are two shorter (2.91 Å) and four longer (3.07 Å) Nd–Rh bond lengths. All Nd–In bond lengths are 3.45 Å. Rh is bonded in a 9-coordinate geometry to six equivalent Nd, one Rh, and two equivalent In atoms. The Rh–Rh bond length is 2.79 Å. Both Rh–In bond lengths are 2.97 Å. In is bonded to eight equivalent Nd and four equivalent Rh atoms to form a mixture of face and corner-sharing InNd8Rh4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu(PRh)2 by Materials Project

Eu(RhP)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent P atoms. All Eu–Rh bond lengths are 3.21 Å. All Eu–P bond lengths are 3.09 Å. Rh is bonded in a 12-coordinate geometry to four equivalent Eu, four equivalent Rh, and four equivalent P atoms. All Rh–Rh bond lengths are 2.86 Å. All Rh–P bond lengths are 2.43 Å. P is bonded in a 9-coordinate geometry to four equivalent Eu, four equivalent Rh, and one P atom. The P–P bond length is 2.30 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TaGeRh by Materials Project

TaRhGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ta is bonded in a 11-coordinate geometry to six equivalent Rh and five equivalent Ge atoms. There are a spread of Ta–Rh bond distances ranging from 2.96–3.07 Å. There are three shorter (2.72 Å) and two longer (2.80 Å) Ta–Ge bond lengths. Rh is bonded in a 12-coordinate geometry to six equivalent Ta, two equivalent Rh, and four equivalent Ge atoms. Both Rh–Rh bond lengths are 2.85 Å. There are a spread of Rh–Ge bond distances ranging from 2.46–2.54 Å. Ge is bonded in a 9-coordinate geometry to five equivalent Ta and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3(SiRh)2 by Materials Project

Ce3(RhSi)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 9-coordinate geometry to four equivalent Rh and five Si atoms. There are two shorter (3.03 Å) and two longer (3.12 Å) Ce–Rh bond lengths. There are a spread of Ce–Si bond distances ranging from 3.00–3.29 Å. In the second Ce site, Ce is bonded in a 7-coordinate geometry to four equivalent Rh and five Si atoms. There are two shorter (2.91 Å) and two longer (3.11 Å) Ce–Rh bond lengths. There are a spread of Ce–Si bond distances ranging from 3.03–3.37 Å. Rh is bonded in a 9-coordinate geometry to six Ce and three Si atoms. There are a spread of Rh–Si bond distances ranging from 2.49–2.58 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded to eight Ce and four equivalent Rh atoms to form a mixture of distorted edge, corner, and face-sharing SiCe8Rh4 cuboctahedra. In the second Si site, Si is bonded in a 9-coordinate geometry to seven Ce and two equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca2FeRhO6 by Materials Project

Ca2FeRhO6 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.35–2.57 Å. In the second Ca site, Ca is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.37–2.62 Å. In the third Ca site, Ca is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.32–2.69 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Fe–O bond distances ranging from 1.98–2.16 Å. In the second Fe site, Fe is bonded to six O atoms to form distorted FeO6 pentagonal pyramids that share faces with two equivalent RhO6 octahedra. There are a spread of Fe–O bond distances ranging from 2.05–2.13 Å. Rh is bonded to six O atoms to form RhO6 octahedra that share a faceface with one FeO6 pentagonal pyramid. There are a spread of Rh–O bond distances ranging from 1.94–2.03 Å. There are six inequivalent O sites. In the first O site, O is bonded to three Ca, one Fe, and one Rh atom to form a mixture of face, edge, and corner-sharing OCa3FeRh square pyramids. In the second O site, O is bonded in a distorted rectangular see-saw-like geometry to two Ca, one Fe, and one Rh atom. In the third O site, O is bonded to three Ca, one Fe, and one Rh atom to form a mixture of face, edge, and corner-sharing OCa3FeRh square pyramids. In the fourth O site, O is bonded in a distorted rectangular see-saw-like geometry to two Ca, one Fe, and one Rh atom. In the fifth O site, O is bonded to three Ca, one Fe, and one Rh atom to form a mixture of distorted face, edge, and corner-sharing OCa3FeRh square pyramids. In the sixth O site, O is bonded to three Ca, one Fe, and one Rh atom to form a mixture of distorted face, edge, and corner-sharing OCa3FeRh square pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca2CuRhO6 by Materials Project

Ca2RhCuO6 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.27–2.74 Å. In the second Ca site, Ca is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.35–2.85 Å. In the third Ca site, Ca is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.37–2.80 Å. Rh is bonded in an octahedral geometry to six O atoms. There are a spread of Rh–O bond distances ranging from 1.95–2.08 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.86 Å) and two longer (1.87 Å) Cu–O bond length. In the second Cu site, Cu is bonded in a rectangular see-saw-like geometry to four O atoms. There is two shorter (1.85 Å) and two longer (1.88 Å) Cu–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a rectangular see-saw-like geometry to three Ca and one Rh atom. In the second O site, O is bonded in a 4-coordinate geometry to two Ca, one Rh, and one Cu atom. In the third O site, O is bonded in a rectangular see-saw-like geometry to three Ca and one Rh atom. In the fourth O site, O is bonded to three Ca, one Rh, and one Cu atom to form a mixture of distorted corner and face-sharing OCa3CuRh trigonal bipyramids. In the fifth O site, O is bonded in a 4-coordinate geometry to two Ca, one Rh, and one Cu atom. In the sixth O site, O is bonded in a 5-coordinate geometry to three Ca, one Rh, and one Cu atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3(GeRh)2 by Materials Project

Ho3(RhGe)2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 9-coordinate geometry to four equivalent Rh and five Ge atoms. There are two shorter (3.02 Å) and two longer (3.05 Å) Ho–Rh bond lengths. There are a spread of Ho–Ge bond distances ranging from 2.99–3.30 Å. In the second Ho site, Ho is bonded in a 7-coordinate geometry to four equivalent Rh and five Ge atoms. There are a spread of Ho–Rh bond distances ranging from 2.90–3.13 Å. There are a spread of Ho–Ge bond distances ranging from 2.98–3.34 Å. Rh is bonded in a 9-coordinate geometry to six Ho and three Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.54–2.60 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to seven Ho and two equivalent Rh atoms. In the second Ge site, Ge is bonded in a 12-coordinate geometry to eight Ho and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2SiRh3 by Materials Project

Er2Rh3Si 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 atoms. There are three shorter (2.85 Å) and six longer (3.16 Å) Er–Rh bond lengths. Rh is bonded in a 12-coordinate geometry to six equivalent Er, four equivalent Rh, and two equivalent Si atoms. All Rh–Rh bond lengths are 2.79 Å. Both Rh–Si bond lengths are 2.51 Å. Si is bonded to six equivalent Rh atoms to form distorted corner-sharing SiRh6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2Ge3Rh by Materials Project

Nd2RhGe3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to two equivalent Rh and ten Ge atoms to form a mixture of edge and face-sharing NdGe10Rh2 cuboctahedra. Both Nd–Rh bond lengths are 3.17 Å. There are a spread of Nd–Ge bond distances ranging from 3.25–3.32 Å. In the second Nd site, Nd is bonded to four equivalent Rh and eight Ge atoms to form a mixture of edge and face-sharing NdGe8Rh4 cuboctahedra. All Nd–Rh bond lengths are 3.25 Å. There are a spread of Nd–Ge bond distances ranging from 3.16–3.28 Å. Rh is bonded in a 3-coordinate geometry to six Nd and three Ge atoms. All Rh–Ge bond lengths are 2.44 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Nd and three Ge atoms. There are one shorter (2.50 Å) and two longer (2.53 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 2-coordinate geometry to six Nd, two equivalent Rh, and one Ge atom. In the third Ge site, Ge is bonded in a 1-coordinate geometry to six Nd, one Rh, and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2Ge2Rh by Materials Project

Sm2RhGe2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 11-coordinate geometry to four equivalent Rh and seven Ge atoms. There are a spread of Sm–Rh bond distances ranging from 3.08–3.36 Å. There are a spread of Sm–Ge bond distances ranging from 3.06–3.36 Å. In the second Sm site, Sm is bonded in a 8-coordinate geometry to two equivalent Rh and six Ge atoms. Both Sm–Rh bond lengths are 3.11 Å. There are a spread of Sm–Ge bond distances ranging from 3.09–3.17 Å. Rh is bonded in a 10-coordinate geometry to six Sm and four Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.54–2.74 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Sm, three equivalent Rh, and one Ge atom. The Ge–Ge bond length is 2.86 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Sm, one Rh, and one Ge atom. The Ge–Ge bond length is 2.66 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AsRh2 by Materials Project

Rh2As is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to four equivalent As atoms to form a mixture of distorted edge and corner-sharing RhAs4 tetrahedra. There are a spread of Rh–As bond distances ranging from 2.42–2.54 Å. In the second Rh site, Rh is bonded in a 3-coordinate geometry to five equivalent As atoms. There are a spread of Rh–As bond distances ranging from 2.48–2.90 Å. As is bonded in a 9-coordinate geometry to nine Rh atoms.

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