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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CeSiRh2 by Materials Project

CeRh2Si crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 4-coordinate geometry to ten Rh and four equivalent Si atoms. There are a spread of Ce–Rh bond distances ranging from 2.98–3.42 Å. All Ce–Si bond lengths are 3.19 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to six equivalent Ce, two equivalent Rh, and one Si atom. Both Rh–Rh bond lengths are 2.72 Å. The Rh–Si bond length is 2.37 Å. In the second Rh site, Rh is bonded to four equivalent Ce and four equivalent Si atoms to form a mixture of distorted edge and face-sharing RhCe4Si4 tetrahedra. There are two shorter (2.38 Å) and two longer (2.40 Å) Rh–Si bond lengths. Si is bonded in a 9-coordinate geometry to four equivalent Ce and five Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2Si3Rh by Materials Project

Ce2RhSi3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded to twelve equivalent Si4- atoms to form CeSi12 cuboctahedra that share edges with twelve equivalent CeSi8 hexagonal bipyramids, faces with two equivalent CeSi12 cuboctahedra, and faces with six equivalent CeSi8 hexagonal bipyramids. All Ce–Si bond lengths are 3.12 Å. In the second Ce4+ site, Ce4+ is bonded to eight equivalent Si4- atoms to form CeSi8 hexagonal bipyramids that share corners with eight equivalent CeSi8 hexagonal bipyramids, edges with four equivalent CeSi12 cuboctahedra, edges with four equivalent CeSi8 hexagonal bipyramids, faces with two equivalent CeSi12 cuboctahedra, and faces with two equivalent CeSi8 hexagonal bipyramids. All Ce–Si bond lengths are 3.14 Å. Rh4+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Rh–Si bond lengths are 2.38 Å. Si4- is bonded in a 1-coordinate geometry to six Ce4+, one Rh4+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.35 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce(SiRh)2 by Materials Project

CeRh2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Si atoms. All Ce–Rh bond lengths are 3.26 Å. All Ce–Si bond lengths are 3.15 Å. Rh is bonded to four equivalent Ce and four equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing RhCe4Si4 tetrahedra. All Rh–Si bond lengths are 2.43 Å. Si is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Rh, and one Si atom. The Si–Si bond length is 2.47 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

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↗
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 Ce4Si3Rh4 by Materials Project

Ce4Rh4Si3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to seven Rh and four Si atoms. There are a spread of Ce–Rh bond distances ranging from 2.97–3.36 Å. There are a spread of Ce–Si bond distances ranging from 3.07–3.28 Å. In the second Ce site, Ce is bonded in a 1-coordinate geometry to five Rh and five Si atoms. There are a spread of Ce–Rh bond distances ranging from 2.87–3.07 Å. There are a spread of Ce–Si bond distances ranging from 3.00–3.36 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to six Ce and three equivalent Si atoms. There are a spread of Rh–Si bond distances ranging from 2.44–2.49 Å. In the second Rh site, 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 2.56–2.61 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 4-coordinate geometry to five Ce and four Rh atoms. In the second Si site, Si is bonded in a 12-coordinate geometry to eight Ce and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSi2Rh by Materials Project

CeRhSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce4+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are a spread of Ce–Si bond distances ranging from 3.19–3.24 Å. Rh4+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Rh–Si bond distances ranging from 2.37–2.43 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a distorted single-bond geometry to six equivalent Ce4+, one Rh4+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.43 Å. In the second Si4- site, Si4- is bonded in a 4-coordinate geometry to four equivalent Ce4+ and four equivalent Rh4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2Si5Rh3 by Materials Project

Ce2Rh3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Ce4+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are a spread of Ce–Si bond distances ranging from 3.02–3.23 Å. There are two inequivalent Rh4+ sites. In the first Rh4+ site, Rh4+ is bonded in a distorted hexagonal planar geometry to six Si4- atoms. There are four shorter (2.45 Å) and two longer (2.62 Å) Rh–Si bond lengths. In the second Rh4+ site, Rh4+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Rh–Si bond distances ranging from 2.37–2.45 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 4-coordinate geometry to four equivalent Ce4+ and four equivalent Rh4+ atoms. In the second Si4- site, Si4- is bonded in a 2-coordinate geometry to four equivalent Ce4+, three Rh4+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.52 Å. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Ce4+, three Rh4+, and two equivalent Si4- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSi2Rh3 by Materials Project

CeRh3Si2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to two equivalent Ce, twelve Rh, and six equivalent Si atoms. Both Ce–Ce bond lengths are 3.61 Å. There are a spread of Ce–Rh bond distances ranging from 3.11–3.56 Å. There are a spread of Ce–Si bond distances ranging from 3.17–3.36 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to four equivalent Ce and four equivalent Si atoms. All Rh–Si bond lengths are 2.46 Å. In the second Rh site, Rh is bonded in a 6-coordinate geometry to four equivalent Ce and four equivalent Si atoms. There are two shorter (2.43 Å) and two longer (2.44 Å) Rh–Si bond lengths. Si is bonded in a 6-coordinate geometry to three equivalent Ce and six Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce4SiRh12 by Materials Project

Ce4Rh12Si crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ce is bonded to twelve Rh atoms to form CeRh12 cuboctahedra that share corners with twelve equivalent CeRh12 cuboctahedra, faces with six equivalent CeRh12 cuboctahedra, and faces with two equivalent SiRh6 octahedra. There are six shorter (2.94 Å) and six longer (2.95 Å) Ce–Rh bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted square co-planar geometry to four equivalent Ce atoms. In the second Rh site, Rh is bonded in a 5-coordinate geometry to four equivalent Ce and one Si atom. The Rh–Si bond length is 2.32 Å. Si is bonded to six equivalent Rh atoms to form SiRh6 octahedra that share faces with eight equivalent CeRh12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeSiRh by Materials Project

CeRhSi crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to four equivalent Rh and four equivalent Si atoms. There are three shorter (3.07 Å) and one longer (3.25 Å) Ce–Rh bond lengths. There are three shorter (3.19 Å) and one longer (3.32 Å) Ce–Si bond lengths. Rh is bonded in a 3-coordinate geometry to four equivalent Ce and three equivalent Si atoms. All Rh–Si bond lengths are 2.32 Å. Si is bonded in a distorted trigonal planar geometry to four equivalent Ce and three equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2Si3Rh by Materials Project

Ce2RhSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded to twelve equivalent Si4- atoms to form CeSi12 cuboctahedra that share edges with twelve equivalent CeSi8 hexagonal bipyramids, faces with two equivalent CeSi12 cuboctahedra, and faces with six equivalent CeSi8 hexagonal bipyramids. There are six shorter (3.12 Å) and six longer (3.13 Å) Ce–Si bond lengths. In the second Ce4+ site, Ce4+ is bonded to eight equivalent Si4- atoms to form CeSi8 hexagonal bipyramids that share corners with eight equivalent CeSi8 hexagonal bipyramids, edges with four equivalent CeSi12 cuboctahedra, edges with four equivalent CeSi8 hexagonal bipyramids, faces with two equivalent CeSi12 cuboctahedra, and faces with two equivalent CeSi8 hexagonal bipyramids. There are four shorter (3.11 Å) and four longer (3.17 Å) Ce–Si bond lengths. Rh4+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Rh–Si bond lengths are 2.40 Å. Si4- is bonded in a 1-coordinate geometry to six Ce4+, one Rh4+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.36 Å.

36 MATERIALS SCIENCE↗