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DOE OSTI2020

Materials Data on LaSi3Rh by Materials Project

LaRhSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to five equivalent Rh and twelve Si atoms. There are four shorter (3.39 Å) and one longer (3.42 Å) La–Rh bond lengths. There are a spread of La–Si bond distances ranging from 3.14–3.37 Å. Rh is bonded in a 5-coordinate geometry to five equivalent La and five Si atoms. All Rh–Si bond lengths are 2.39 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent La, one Rh, and four equivalent Si atoms. All Si–Si bond lengths are 2.61 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent La, two equivalent Rh, and two equivalent Si atoms.

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DOE OSTI2020

Materials Data on TbSi3Rh by Materials Project

TbRhSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to four equivalent Rh and twelve Si atoms. All Tb–Rh bond lengths are 3.32 Å. There are a spread of Tb–Si bond distances ranging from 3.07–3.34 Å. Rh is bonded in a 5-coordinate geometry to four equivalent Tb and five Si atoms. There are one shorter (2.33 Å) and four longer (2.36 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 Tb, one Rh, and four equivalent Si atoms. All Si–Si bond lengths are 2.56 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Tb, two equivalent Rh, and two equivalent Si atoms.

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DOE OSTI2020

Materials Data on ErB4(IrRh)2 by Materials Project

ErB4(IrRh)2 crystallizes in the tetragonal P4_2mc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to six equivalent Ir, six equivalent Rh, and twelve B atoms. There are two shorter (2.98 Å) and four longer (3.19 Å) Er–Ir bond lengths. There are two shorter (2.96 Å) and four longer (3.20 Å) Er–Rh bond lengths. There are a spread of Er–B bond distances ranging from 3.05–3.16 Å. Ir is bonded in a 5-coordinate geometry to three equivalent Er and five B atoms. There are four shorter (2.22 Å) and one longer (2.27 Å) Ir–B bond lengths. Rh is bonded in a 5-coordinate geometry to three equivalent Er and five B atoms. There are a spread of Rh–B bond distances ranging from 2.22–2.24 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Er, 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 Er, two equivalent Ir, three equivalent Rh, and one B atom. The B–B bond length is 1.83 Å.

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Materials Data on La2Rh2I by Materials Project

La2Rh2I crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to six equivalent Rh and three equivalent I atoms. There are three shorter (3.14 Å) and three longer (3.16 Å) La–Rh bond lengths. All La–I bond lengths are 3.60 Å. Rh is bonded in a 9-coordinate geometry to six equivalent La and three equivalent Rh atoms. All Rh–Rh bond lengths are 2.52 Å. I is bonded in a 6-coordinate geometry to six equivalent La atoms.

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Materials Data on LaGe2PdRh by Materials Project

LaRhPdGe2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La is bonded in a 8-coordinate geometry to four equivalent Rh, four equivalent Pd, and eight Ge atoms. All La–Rh bond lengths are 3.36 Å. All La–Pd bond lengths are 3.37 Å. There are four shorter (3.29 Å) and four longer (3.36 Å) La–Ge bond lengths. Rh is bonded in a 5-coordinate geometry to four equivalent La and five Ge atoms. There are one shorter (2.45 Å) and four longer (2.52 Å) Rh–Ge bond lengths. Pd is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Ge atoms. All Pd–Ge bond lengths are 2.58 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent La, one Rh, and four equivalent Pd atoms. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Rh atoms.

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Materials Data on Re3Rh by Materials Project

Re3Rh crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded to twelve Re atoms to form ReRe12 cuboctahedra that share corners with six equivalent ReRe12 cuboctahedra, corners with twelve equivalent RhRe6Rh6 cuboctahedra, edges with eighteen ReRe12 cuboctahedra, faces with two equivalent RhRe6Rh6 cuboctahedra, and faces with eighteen ReRe12 cuboctahedra. There are six shorter (2.74 Å) and six longer (2.78 Å) Re–Re bond lengths. In the second Re site, Re is bonded to nine Re and three equivalent Rh atoms to form distorted ReRe9Rh3 cuboctahedra that share corners with eighteen equivalent ReRe9Rh3 cuboctahedra, edges with six equivalent RhRe6Rh6 cuboctahedra, edges with twelve ReRe12 cuboctahedra, faces with six equivalent RhRe6Rh6 cuboctahedra, and faces with fourteen ReRe12 cuboctahedra. All Re–Re bond lengths are 2.78 Å. All Re–Rh bond lengths are 2.73 Å. Rh is bonded to six equivalent Re and six equivalent Rh atoms to form distorted RhRe6Rh6 cuboctahedra that share corners with six equivalent RhRe6Rh6 cuboctahedra, corners with twelve equivalent ReRe12 cuboctahedra, edges with six equivalent RhRe6Rh6 cuboctahedra, edges with twelve equivalent ReRe9Rh3 cuboctahedra, faces with six equivalent RhRe6Rh6 cuboctahedra, and faces with fourteen ReRe12 cuboctahedra. All Rh–Rh bond lengths are 2.78 Å.

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DOE OSTI2020

Materials Data on Co3Rh by Materials Project

RhCo3 is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Rh is bonded to six equivalent Rh and six equivalent Co atoms to form RhCo6Rh6 cuboctahedra that share corners with six equivalent RhCo6Rh6 cuboctahedra, corners with twelve equivalent CoCo12 cuboctahedra, edges with six equivalent RhCo6Rh6 cuboctahedra, edges with twelve equivalent CoCo9Rh3 cuboctahedra, faces with six equivalent RhCo6Rh6 cuboctahedra, and faces with fourteen CoCo12 cuboctahedra. All Rh–Rh bond lengths are 2.60 Å. All Rh–Co bond lengths are 2.61 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with six equivalent CoCo12 cuboctahedra, corners with twelve equivalent RhCo6Rh6 cuboctahedra, edges with eighteen CoCo12 cuboctahedra, faces with two equivalent RhCo6Rh6 cuboctahedra, and faces with eighteen CoCo12 cuboctahedra. There are six shorter (2.47 Å) and six longer (2.60 Å) Co–Co bond lengths. In the second Co site, Co is bonded to three equivalent Rh and nine Co atoms to form distorted CoCo9Rh3 cuboctahedra that share corners with eighteen equivalent CoCo9Rh3 cuboctahedra, edges with six equivalent RhCo6Rh6 cuboctahedra, edges with twelve CoCo12 cuboctahedra, faces with six equivalent RhCo6Rh6 cuboctahedra, and faces with fourteen CoCo12 cuboctahedra. All Co–Co bond lengths are 2.60 Å.

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Materials Data on LaGe2Rh by Materials Project

LaRhGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to four equivalent Rh and ten Ge atoms. All La–Rh bond lengths are 3.36 Å. There are a spread of La–Ge bond distances ranging from 3.31–3.41 Å. Rh is bonded in a 5-coordinate geometry to four equivalent La and five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.43–2.51 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent La, one Rh, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.63 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Rh atoms.

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Materials Data on RhSCl5 by Materials Project

RhCl3SCl2 is Magnesium tetraboride-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of twelve sulfur dichloride molecules and two RhCl3 clusters. In each RhCl3 cluster, there are six inequivalent Rh3+ sites. In the first Rh3+ site, Rh3+ is bonded to five Cl1- atoms to form edge-sharing RhCl5 square pyramids. There are a spread of Rh–Cl bond distances ranging from 2.33–2.45 Å. In the second Rh3+ site, Rh3+ is bonded to five Cl1- atoms to form edge-sharing RhCl5 square pyramids. There are a spread of Rh–Cl bond distances ranging from 2.34–2.45 Å. In the third Rh3+ site, Rh3+ is bonded to five Cl1- atoms to form edge-sharing RhCl5 square pyramids. There are a spread of Rh–Cl bond distances ranging from 2.34–2.45 Å. In the fourth Rh3+ site, Rh3+ is bonded to five Cl1- atoms to form edge-sharing RhCl5 square pyramids. There are a spread of Rh–Cl bond distances ranging from 2.33–2.45 Å. In the fifth Rh3+ site, Rh3+ is bonded to five Cl1- atoms to form edge-sharing RhCl5 square pyramids. There are a spread of Rh–Cl bond distances ranging from 2.34–2.45 Å. In the sixth Rh3+ site, Rh3+ is bonded to five Cl1- atoms to form edge-sharing RhCl5 square pyramids. There are a spread of Rh–Cl bond distances ranging from 2.34–2.45 Å. There are eighteen inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Rh3+ atom. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two Rh3+ atoms. In the third Cl1- site, Cl1- is bonded in a water-like geometry to two Rh3+ atoms. In the fourth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Rh3+ atoms. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Rh3+ atom. In the sixth Cl1- site, Cl1- is bonded in a water-like geometry to two Rh3+ atoms. In the seventh Cl1- site, Cl1- is bonded in a water-like geometry to two Rh3+ atoms. In the eighth Cl1- site, Cl1- is bonded in a single-bond geometry to one Rh3+ atom. In the ninth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Rh3+ atoms. In the tenth Cl1- site, Cl1- is bonded in a single-bond geometry to one Rh3+ atom. In the eleventh Cl1- site, Cl1- is bonded in a water-like geometry to two Rh3+ atoms. In the twelfth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Rh3+ atoms. In the thirteenth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Rh3+ atoms. In the fourteenth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Rh3+ atoms. In the fifteenth Cl1- site, Cl1- is bonded in a single-bond geometry to one Rh3+ atom. In the sixteenth Cl1- site, Cl1- is bonded in a water-like geometry to two Rh3+ atoms. In the seventeenth Cl1- site, Cl1- is bonded in a single-bond geometry to one Rh3+ atom. In the eighteenth Cl1- site, Cl1- is bonded in a water-like geometry to two Rh3+ atoms.

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Materials Data on LaSn2Rh by Materials Project

LaRhSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to four equivalent Rh and ten Sn atoms. All La–Rh bond lengths are 3.54 Å. There are a spread of La–Sn bond distances ranging from 3.49–3.70 Å. Rh is bonded in a 5-coordinate geometry to four equivalent La and five Sn atoms. There are one shorter (2.56 Å) and four longer (2.67 Å) Rh–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted single-bond geometry to six equivalent La, one Rh, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 2.87 Å. In the second Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Rh atoms.

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Materials Data on BaGe3Rh by Materials Project

BaRhGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to five equivalent Rh and twelve Ge atoms. There are four shorter (3.59 Å) and one longer (3.64 Å) Ba–Rh bond lengths. There are a spread of Ba–Ge bond distances ranging from 3.37–3.49 Å. Rh is bonded in a 5-coordinate geometry to five equivalent Ba and five Ge atoms. All Rh–Ge bond lengths are 2.52 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to four equivalent Ba, one Rh, and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.81 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Ba, two equivalent Rh, and two equivalent Ge atoms.

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DOE OSTI2020

Materials Data on LaNi4Rh by Materials Project

LaRhNi4 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to four equivalent Rh and fourteen Ni atoms. All La–Rh bond lengths are 3.18 Å. There are six shorter (2.94 Å) and eight longer (3.26 Å) La–Ni bond lengths. Rh is bonded to four equivalent La and eight Ni atoms to form RhLa4Ni8 cuboctahedra that share corners with eight equivalent RhLa4Ni8 cuboctahedra, corners with eight equivalent NiLa4Ni6Rh2 cuboctahedra, edges with two equivalent RhLa4Ni8 cuboctahedra, edges with eight equivalent NiLa4Ni6Rh2 cuboctahedra, faces with two equivalent RhLa4Ni8 cuboctahedra, and faces with eight equivalent NiLa4Ni6Rh2 cuboctahedra. There are four shorter (2.55 Å) and four longer (2.58 Å) Rh–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent La, two equivalent Rh, and four equivalent Ni atoms. All Ni–Ni bond lengths are 2.44 Å. In the second Ni site, Ni is bonded to four equivalent La, two equivalent Rh, and six Ni atoms to form distorted NiLa4Ni6Rh2 cuboctahedra that share corners with four equivalent RhLa4Ni8 cuboctahedra, corners with twelve equivalent NiLa4Ni6Rh2 cuboctahedra, edges with four equivalent RhLa4Ni8 cuboctahedra, edges with six equivalent NiLa4Ni6Rh2 cuboctahedra, faces with four equivalent RhLa4Ni8 cuboctahedra, and faces with six equivalent NiLa4Ni6Rh2 cuboctahedra. Both Ni–Ni bond lengths are 2.47 Å.

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DOE OSTI2020

Materials Data on SmSi3Rh by Materials Project

SmRhSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sm is bonded in a 4-coordinate geometry to five equivalent Rh and twelve Si atoms. There are four shorter (3.34 Å) and one longer (3.40 Å) Sm–Rh bond lengths. There are a spread of Sm–Si bond distances ranging from 3.09–3.34 Å. Rh is bonded in a 5-coordinate geometry to five equivalent Sm and five Si atoms. All Rh–Si bond lengths are 2.36 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted single-bond geometry to four equivalent Sm, one Rh, and four equivalent Si atoms. All Si–Si bond lengths are 2.58 Å. In the second Si site, Si is bonded in a distorted bent 120 degrees geometry to four equivalent Sm, two equivalent Rh, and two equivalent Si atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tl2Rh3S2 by Materials Project

Rh3Tl2S2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rh is bonded to four Tl and two equivalent S atoms to form distorted RhTl4S2 octahedra that share corners with two equivalent TlRh6S2 hexagonal bipyramids, corners with twelve equivalent RhTl4S2 octahedra, and faces with four equivalent RhTl4S2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. There are two shorter (2.88 Å) and two longer (2.90 Å) Rh–Tl bond lengths. Both Rh–S bond lengths are 2.31 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a hexagonal planar geometry to six equivalent Rh atoms. In the second Tl site, Tl is bonded to six equivalent Rh and two equivalent S atoms to form TlRh6S2 hexagonal bipyramids that share corners with six equivalent TlRh6S2 hexagonal bipyramids and corners with six equivalent RhTl4S2 octahedra. The corner-sharing octahedral tilt angles are 46°. Both Tl–S bond lengths are 3.15 Å. S is bonded in a 4-coordinate geometry to three equivalent Rh and one Tl atom.

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Materials Data on AgRh by Materials Project

RhAg crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Rh is bonded to six equivalent Rh and six equivalent Ag atoms to form RhAg6Rh6 cuboctahedra that share corners with eighteen equivalent RhAg6Rh6 cuboctahedra, edges with six equivalent RhAg6Rh6 cuboctahedra, edges with twelve equivalent AgAg6Rh6 cuboctahedra, faces with eight equivalent RhAg6Rh6 cuboctahedra, and faces with twelve equivalent AgAg6Rh6 cuboctahedra. All Rh–Rh bond lengths are 2.78 Å. All Rh–Ag bond lengths are 2.89 Å. Ag is bonded to six equivalent Rh and six equivalent Ag atoms to form AgAg6Rh6 cuboctahedra that share corners with eighteen equivalent AgAg6Rh6 cuboctahedra, edges with six equivalent AgAg6Rh6 cuboctahedra, edges with twelve equivalent RhAg6Rh6 cuboctahedra, faces with eight equivalent AgAg6Rh6 cuboctahedra, and faces with twelve equivalent RhAg6Rh6 cuboctahedra. All Ag–Ag bond lengths are 2.78 Å.

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Materials Data on Rh3(PbSe)2 by Materials Project

Rh3(PbSe)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Rh is bonded in a distorted linear geometry to four Pb and two equivalent Se atoms. There are two shorter (2.91 Å) and two longer (2.98 Å) Rh–Pb bond lengths. Both Rh–Se bond lengths are 2.45 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded to six equivalent Rh and two equivalent Se atoms to form corner-sharing PbRh6Se2 hexagonal bipyramids. Both Pb–Se bond lengths are 3.14 Å. In the second Pb site, Pb is bonded in a 6-coordinate geometry to six equivalent Rh atoms. Se is bonded in a 4-coordinate geometry to three equivalent Rh and one Pb atom.

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Materials Data on RuRh by Materials Project

RhRu crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ru is bonded to six equivalent Ru and six equivalent Rh atoms to form RuRu6Rh6 cuboctahedra that share corners with eighteen equivalent RuRu6Rh6 cuboctahedra, edges with six equivalent RuRu6Rh6 cuboctahedra, edges with twelve equivalent RhRu6Rh6 cuboctahedra, faces with eight equivalent RuRu6Rh6 cuboctahedra, and faces with twelve equivalent RhRu6Rh6 cuboctahedra. All Ru–Ru bond lengths are 2.73 Å. All Ru–Rh bond lengths are 2.68 Å. Rh is bonded to six equivalent Ru and six equivalent Rh atoms to form RhRu6Rh6 cuboctahedra that share corners with eighteen equivalent RhRu6Rh6 cuboctahedra, edges with six equivalent RhRu6Rh6 cuboctahedra, edges with twelve equivalent RuRu6Rh6 cuboctahedra, faces with eight equivalent RhRu6Rh6 cuboctahedra, and faces with twelve equivalent RuRu6Rh6 cuboctahedra. All Rh–Rh bond lengths are 2.73 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuGe3Rh by Materials Project

EuRhGe3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to five equivalent Rh and twelve Ge atoms. There are four shorter (3.51 Å) and one longer (3.54 Å) Eu–Rh bond lengths. There are a spread of Eu–Ge bond distances ranging from 3.26–3.42 Å. Rh is bonded in a 5-coordinate geometry to five equivalent Eu and five Ge atoms. There are one shorter (2.42 Å) and four longer (2.46 Å) Rh–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Eu, two equivalent Rh, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.75 Å. In the second Ge site, Ge is bonded in a distorted single-bond geometry to four equivalent Eu, one Rh, and four equivalent Ge atoms.

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