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DOE OSTI2020

Materials Data on B4Rh5 by Materials Project

Rh5B4 crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two Rh5B4 sheets oriented in the (0, 0, 1) direction. there are three inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to six B atoms. There are three shorter (2.17 Å) and three longer (2.31 Å) Rh–B bond lengths. In the second Rh site, Rh is bonded in a distorted trigonal non-coplanar geometry to three equivalent B atoms. All Rh–B bond lengths are 2.08 Å. In the third Rh site, Rh is bonded in a 6-coordinate geometry to six equivalent B atoms. All Rh–B bond lengths are 2.22 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to six Rh and one B atom. The B–B bond length is 2.27 Å. In the second B site, B is bonded in a 6-coordinate geometry to six Rh and two B atoms. The B–B bond length is 2.21 Å.

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Materials Data on Ce3Si2Rh3 by Materials Project

Ce3Rh3Si2 is gamma CuTi-derived structured and crystallizes in the orthorhombic Pnma 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 five Rh and four equivalent Si atoms. There are a spread of Ce–Rh bond distances ranging from 2.86–3.25 Å. There are two shorter (3.06 Å) and two longer (3.14 Å) Ce–Si bond lengths. In the second Ce site, Ce is bonded in a 5-coordinate geometry to six Rh and three equivalent Si atoms. There are a spread of Ce–Rh bond distances ranging from 2.96–3.30 Å. There are a spread of Ce–Si bond distances ranging from 3.06–3.14 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to five Ce and three equivalent Si atoms. There are a spread of Rh–Si bond distances ranging from 2.40–2.47 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to seven Ce and two equivalent Si atoms. Both Rh–Si bond lengths are 2.60 Å. Si is bonded in a 9-coordinate geometry to five Ce and four Rh atoms.

36 MATERIALS SCIENCE↗
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Materials Data on Ge3Rh5 by Materials Project

Ge3Rh5 crystallizes in the orthorhombic Pbam 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 five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.43–2.83 Å. In the second Rh site, Rh is bonded in a 4-coordinate geometry to six Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.45–3.13 Å. In the third Rh site, Rh is bonded in a 6-coordinate geometry to six Ge atoms. There are four shorter (2.64 Å) and two longer (2.75 Å) Rh–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to ten Rh atoms. In the second Ge site, Ge is bonded in a body-centered cubic geometry to eight Rh atoms.

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DOE OSTI2020

Materials Data on LiSn5Rh3 by Materials Project

LiRh3Sn5 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. Li is bonded in a 6-coordinate geometry to four Rh and five Sn atoms. There are a spread of Li–Rh bond distances ranging from 2.66–2.88 Å. There are a spread of Li–Sn bond distances ranging from 2.84–3.05 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 1-coordinate geometry to one Li and seven Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.73–2.91 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to two equivalent Li and six Sn atoms. There are a spread of Rh–Sn bond distances ranging from 2.66–2.81 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to one Li, four Rh, and one Sn atom. The Sn–Sn bond length is 2.94 Å. In the second Sn site, Sn is bonded in a 5-coordinate geometry to one Li and four Rh atoms. In the third Sn site, Sn is bonded in a 5-coordinate geometry to one Li and four Rh atoms.

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Materials Data on Pu5Rh3 by Materials Project

Pu5Rh3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded in a 4-coordinate geometry to four equivalent Rh atoms. All Pu–Rh bond lengths are 2.94 Å. In the second Pu site, Pu is bonded in a 6-coordinate geometry to six Rh atoms. There are a spread of Pu–Rh bond distances ranging from 2.87–3.22 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 10-coordinate geometry to ten Pu atoms. In the second Rh site, Rh is bonded in a 10-coordinate geometry to eight equivalent Pu and two equivalent Rh atoms. Both Rh–Rh bond lengths are 2.80 Å.

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DOE OSTI2020

Materials Data on La2Si5Rh3 by Materials Project

La2Rh3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. La is bonded in a 1-coordinate geometry to seven Rh and ten Si atoms. There are a spread of La–Rh bond distances ranging from 3.18–3.45 Å. There are a spread of La–Si bond distances ranging from 3.07–3.27 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to five equivalent La and five Si atoms. There are a spread of Rh–Si bond distances ranging from 2.44–2.48 Å. In the second Rh site, Rh is bonded in a 6-coordinate geometry to four equivalent La and six Si atoms. There are four shorter (2.47 Å) and two longer (2.69 Å) Rh–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Rh atoms. In the second Si site, Si is bonded in a 2-coordinate geometry to four equivalent La, three Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.54 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to four equivalent La, three Rh, and two equivalent Si atoms.

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Materials Data on ZnRh3 by Materials Project

Rh3Zn is Uranium Silicide-like 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 eight Rh and four equivalent Zn atoms to form distorted RhZn4Rh8 cuboctahedra that share corners with twelve equivalent RhZn4Rh8 cuboctahedra, edges with eight equivalent ZnRh12 cuboctahedra, edges with sixteen RhZn4Rh8 cuboctahedra, faces with four equivalent ZnRh12 cuboctahedra, and faces with fourteen RhZn4Rh8 cuboctahedra. All Rh–Rh bond lengths are 2.71 Å. All Rh–Zn bond lengths are 2.71 Å. In the second Rh site, Rh is bonded to eight equivalent Rh and four equivalent Zn atoms to form distorted RhZn4Rh8 cuboctahedra that share corners with four equivalent RhZn4Rh8 cuboctahedra, corners with eight equivalent ZnRh12 cuboctahedra, edges with twenty-four RhZn4Rh8 cuboctahedra, faces with six equivalent ZnRh12 cuboctahedra, and faces with twelve RhZn4Rh8 cuboctahedra. All Rh–Zn bond lengths are 2.71 Å. Zn is bonded to twelve Rh atoms to form ZnRh12 cuboctahedra that share corners with four equivalent ZnRh12 cuboctahedra, corners with eight equivalent RhZn4Rh8 cuboctahedra, edges with eight equivalent ZnRh12 cuboctahedra, edges with sixteen equivalent RhZn4Rh8 cuboctahedra, faces with four equivalent ZnRh12 cuboctahedra, and faces with fourteen RhZn4Rh8 cuboctahedra.

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Materials Data on Rh3Pb by Materials Project

Rh3Pb 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 eight Rh and four equivalent Pb atoms to form RhRh8Pb4 cuboctahedra that share corners with twelve equivalent RhRh8Pb4 cuboctahedra, edges with eight equivalent PbRh12 cuboctahedra, edges with sixteen RhRh8Pb4 cuboctahedra, faces with four equivalent PbRh12 cuboctahedra, and faces with fourteen RhRh8Pb4 cuboctahedra. There are four shorter (2.82 Å) and four longer (2.90 Å) Rh–Rh bond lengths. All Rh–Pb bond lengths are 2.82 Å. In the second Rh site, Rh is bonded to eight equivalent Rh and four equivalent Pb atoms to form RhRh8Pb4 cuboctahedra that share corners with four equivalent RhRh8Pb4 cuboctahedra, corners with eight equivalent PbRh12 cuboctahedra, edges with twenty-four RhRh8Pb4 cuboctahedra, faces with six equivalent PbRh12 cuboctahedra, and faces with twelve RhRh8Pb4 cuboctahedra. All Rh–Pb bond lengths are 2.90 Å. Pb is bonded to twelve Rh atoms to form PbRh12 cuboctahedra that share corners with four equivalent PbRh12 cuboctahedra, corners with eight equivalent RhRh8Pb4 cuboctahedra, edges with eight equivalent PbRh12 cuboctahedra, edges with sixteen equivalent RhRh8Pb4 cuboctahedra, faces with four equivalent PbRh12 cuboctahedra, and faces with fourteen RhRh8Pb4 cuboctahedra.

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Materials Data on Rh3Se by Materials Project

Rh3Se is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to eight Rh and four equivalent Se atoms to form distorted RhRh8Se4 cuboctahedra that share corners with four equivalent SeRh12 cuboctahedra, corners with fourteen RhRh8Se4 cuboctahedra, edges with six equivalent SeRh12 cuboctahedra, edges with twelve RhRh8Se4 cuboctahedra, faces with four equivalent SeRh12 cuboctahedra, and faces with sixteen RhRh8Se4 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.74–2.83 Å. There are two shorter (2.76 Å) and two longer (2.80 Å) Rh–Se bond lengths. In the second Rh site, Rh is bonded to eight equivalent Rh and four equivalent Se atoms to form distorted RhRh8Se4 cuboctahedra that share corners with four equivalent SeRh12 cuboctahedra, corners with fourteen RhRh8Se4 cuboctahedra, edges with six equivalent SeRh12 cuboctahedra, edges with twelve equivalent RhRh8Se4 cuboctahedra, faces with four equivalent SeRh12 cuboctahedra, and faces with sixteen RhRh8Se4 cuboctahedra. There are two shorter (2.76 Å) and two longer (2.80 Å) Rh–Se bond lengths. Se is bonded to twelve Rh atoms to form SeRh12 cuboctahedra that share corners with six equivalent SeRh12 cuboctahedra, corners with twelve equivalent RhRh8Se4 cuboctahedra, edges with eighteen RhRh8Se4 cuboctahedra, faces with eight equivalent SeRh12 cuboctahedra, and faces with twelve RhRh8Se4 cuboctahedra.

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DOE OSTI2020

Materials Data on PtRh3 by Materials Project

Rh3Pt is Copper-derived 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 eight Rh and four equivalent Pt atoms to form RhPt4Rh8 cuboctahedra that share corners with twelve equivalent RhPt4Rh8 cuboctahedra, edges with eight equivalent PtRh12 cuboctahedra, edges with sixteen RhPt4Rh8 cuboctahedra, faces with four equivalent PtRh12 cuboctahedra, and faces with fourteen RhPt4Rh8 cuboctahedra. All Rh–Rh bond lengths are 2.74 Å. All Rh–Pt bond lengths are 2.74 Å. In the second Rh site, Rh is bonded to eight equivalent Rh and four equivalent Pt atoms to form RhPt4Rh8 cuboctahedra that share corners with four equivalent RhPt4Rh8 cuboctahedra, corners with eight equivalent PtRh12 cuboctahedra, edges with twenty-four RhPt4Rh8 cuboctahedra, faces with six equivalent PtRh12 cuboctahedra, and faces with twelve RhPt4Rh8 cuboctahedra. All Rh–Pt bond lengths are 2.74 Å. Pt is bonded to twelve Rh atoms to form PtRh12 cuboctahedra that share corners with four equivalent PtRh12 cuboctahedra, corners with eight equivalent RhPt4Rh8 cuboctahedra, edges with eight equivalent PtRh12 cuboctahedra, edges with sixteen equivalent RhPt4Rh8 cuboctahedra, faces with four equivalent PtRh12 cuboctahedra, and faces with fourteen RhPt4Rh8 cuboctahedra.

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Materials Data on Pr2Ge5Rh3 by Materials Project

Pr2Rh3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to seven Rh and ten Ge atoms. There are a spread of Pr–Rh bond distances ranging from 3.22–3.58 Å. There are a spread of Pr–Ge bond distances ranging from 3.04–3.34 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to four equivalent Pr and six Ge atoms. There are four shorter (2.55 Å) and two longer (2.70 Å) Rh–Ge bond lengths. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five equivalent Pr and five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.44–2.53 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Pr and four equivalent Rh atoms. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Pr, three Rh, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.69 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Pr, three Rh, and two equivalent Ge atoms.

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Materials Data on SnRh3 by Materials Project

Rh3Sn 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 eight Rh and four equivalent Sn atoms to form distorted RhSn4Rh8 cuboctahedra that share corners with twelve equivalent RhSn4Rh8 cuboctahedra, edges with eight equivalent SnRh12 cuboctahedra, edges with sixteen RhSn4Rh8 cuboctahedra, faces with four equivalent SnRh12 cuboctahedra, and faces with fourteen RhSn4Rh8 cuboctahedra. There are four shorter (2.78 Å) and four longer (2.86 Å) Rh–Rh bond lengths. All Rh–Sn bond lengths are 2.78 Å. In the second Rh site, Rh is bonded to eight equivalent Rh and four equivalent Sn atoms to form RhSn4Rh8 cuboctahedra that share corners with four equivalent RhSn4Rh8 cuboctahedra, corners with eight equivalent SnRh12 cuboctahedra, edges with twenty-four RhSn4Rh8 cuboctahedra, faces with six equivalent SnRh12 cuboctahedra, and faces with twelve RhSn4Rh8 cuboctahedra. All Rh–Sn bond lengths are 2.86 Å. Sn is bonded to twelve Rh atoms to form SnRh12 cuboctahedra that share corners with four equivalent SnRh12 cuboctahedra, corners with eight equivalent RhSn4Rh8 cuboctahedra, edges with eight equivalent SnRh12 cuboctahedra, edges with sixteen equivalent RhSn4Rh8 cuboctahedra, faces with four equivalent SnRh12 cuboctahedra, and faces with fourteen RhSn4Rh8 cuboctahedra.

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Materials Data on Ag2(RhS)15 by Materials Project

Ag2(RhS)15 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a rectangular see-saw-like geometry to four S atoms. There are two shorter (2.33 Å) and two longer (2.36 Å) Rh–S bond lengths. In the second Rh site, Rh is bonded in a 5-coordinate geometry to one Ag and four equivalent S atoms. The Rh–Ag bond length is 2.98 Å. All Rh–S bond lengths are 2.34 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in an octahedral geometry to two equivalent Rh and four equivalent S atoms. All Ag–S bond lengths are 2.56 Å. In the second Ag site, Ag is bonded in an octahedral geometry to six equivalent S atoms. All Ag–S bond lengths are 2.54 Å. There are three inequivalent S sites. In the first S site, S is bonded in a 5-coordinate geometry to four equivalent Rh and one Ag atom. In the second S site, S is bonded in a 4-coordinate geometry to four Rh atoms. In the third S site, S is bonded in a 5-coordinate geometry to four equivalent Rh and one Ag atom.

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Materials Data on Pd2(RhS)15 by Materials Project

Pd2(RhS)15 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a rectangular see-saw-like geometry to four S atoms. There are a spread of Rh–S bond distances ranging from 2.31–2.36 Å. In the second Rh site, Rh is bonded to one Pd and four equivalent S atoms to form distorted corner-sharing RhPdS4 square pyramids. The Rh–Pd bond length is 2.64 Å. All Rh–S bond lengths are 2.31 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in an octahedral geometry to two equivalent Rh and four equivalent S atoms. All Pd–S bond lengths are 2.47 Å. In the second Pd site, Pd is bonded in an octahedral geometry to six equivalent S atoms. All Pd–S bond lengths are 2.43 Å. There are three inequivalent S sites. In the first S site, S is bonded in a 5-coordinate geometry to four equivalent Rh and one Pd atom. In the second S site, S is bonded in a 4-coordinate geometry to four Rh atoms. In the third S site, S is bonded in a 5-coordinate geometry to four equivalent Rh and one Pd atom.

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DOE OSTI2020

Materials Data on Ho2Si5Rh3 by Materials Project

Ho2Rh3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Ho is bonded in a 1-coordinate geometry to seven Rh and ten Si atoms. There are a spread of Ho–Rh bond distances ranging from 3.08–3.40 Å. There are a spread of Ho–Si bond distances ranging from 2.97–3.21 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to four equivalent Ho and six Si atoms. There are four shorter (2.44 Å) and two longer (2.59 Å) Rh–Si bond lengths. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five equivalent Ho and five Si atoms. There are a spread of Rh–Si bond distances ranging from 2.35–2.42 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 2-coordinate geometry to four equivalent Ho, three Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.51 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to four equivalent Ho, three Rh, and two equivalent Si atoms. In the third Si site, Si is bonded in a 4-coordinate geometry to four equivalent Ho and four equivalent Rh atoms.

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Materials Data on GaRh3 by Materials Project

Rh3Ga is beta Cu3Ti-like 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 eight Rh and four equivalent Ga atoms to form distorted RhGa4Rh8 cuboctahedra that share corners with twelve equivalent RhGa4Rh8 cuboctahedra, edges with eight equivalent GaRh12 cuboctahedra, edges with sixteen RhGa4Rh8 cuboctahedra, faces with four equivalent GaRh12 cuboctahedra, and faces with fourteen RhGa4Rh8 cuboctahedra. There are four shorter (2.71 Å) and four longer (2.75 Å) Rh–Rh bond lengths. All Rh–Ga bond lengths are 2.71 Å. In the second Rh site, Rh is bonded to eight equivalent Rh and four equivalent Ga atoms to form RhGa4Rh8 cuboctahedra that share corners with four equivalent RhGa4Rh8 cuboctahedra, corners with eight equivalent GaRh12 cuboctahedra, edges with twenty-four RhGa4Rh8 cuboctahedra, faces with six equivalent GaRh12 cuboctahedra, and faces with twelve RhGa4Rh8 cuboctahedra. All Rh–Ga bond lengths are 2.75 Å. Ga is bonded to twelve Rh atoms to form GaRh12 cuboctahedra that share corners with four equivalent GaRh12 cuboctahedra, corners with eight equivalent RhGa4Rh8 cuboctahedra, edges with eight equivalent GaRh12 cuboctahedra, edges with sixteen equivalent RhGa4Rh8 cuboctahedra, faces with four equivalent GaRh12 cuboctahedra, and faces with fourteen RhGa4Rh8 cuboctahedra.

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Materials Data on Sc2FeB2Ru2Rh3 by Materials Project

Sc2Ru2FeRh3B2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to four equivalent Ru, six Rh, and three equivalent B atoms. There are two shorter (2.85 Å) and two longer (2.93 Å) Sc–Ru bond lengths. There are a spread of Sc–Rh bond distances ranging from 2.78–2.95 Å. There are a spread of Sc–B bond distances ranging from 2.63–2.93 Å. Ru is bonded in a 8-coordinate geometry to four equivalent Sc, two equivalent Fe, and two equivalent B atoms. Both Ru–Fe bond lengths are 2.61 Å. Both Ru–B bond lengths are 2.16 Å. Fe is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Rh atoms. All Fe–Rh bond lengths are 2.61 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent Sc, two equivalent Fe, and two equivalent B atoms. Both Rh–B bond lengths are 2.23 Å. In the second Rh site, Rh is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent B atoms. All Rh–B bond lengths are 2.26 Å. B is bonded in a 9-coordinate geometry to three equivalent Sc, two equivalent Ru, and four Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3B2Rh5 by Materials Project

Mg3Rh5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 11-coordinate geometry to ten Rh and one B atom. There are a spread of Mg–Rh bond distances ranging from 2.81–2.95 Å. The Mg–B bond length is 2.66 Å. In the second Mg site, Mg is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Mg–Rh bond lengths are 2.66 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent B atoms. All Rh–B bond lengths are 2.25 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to six Mg and two equivalent B atoms. Both Rh–B bond lengths are 2.14 Å. B is bonded in a 7-coordinate geometry to one Mg and six Rh atoms.

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