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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Y3Si3Rh by Materials Project

Y3RhSi3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Y–Si bond distances ranging from 2.95–3.13 Å. In the second Y3+ site, Y3+ is bonded in a 6-coordinate geometry to six Si4- atoms. There are a spread of Y–Si bond distances ranging from 2.91–3.09 Å. In the third Y3+ site, Y3+ is bonded to six Si4- atoms to form distorted YSi6 pentagonal pyramids that share corners with four equivalent YSi6 pentagonal pyramids, corners with two equivalent RhSi4 tetrahedra, edges with two equivalent YSi6 pentagonal pyramids, and edges with two equivalent RhSi4 tetrahedra. There are a spread of Y–Si bond distances ranging from 2.92–3.18 Å. Rh3+ is bonded to four Si4- atoms to form RhSi4 tetrahedra that share corners with two equivalent YSi6 pentagonal pyramids, corners with two equivalent RhSi4 tetrahedra, edges with two equivalent YSi6 pentagonal pyramids, and edges with two equivalent RhSi4 tetrahedra. There are a spread of Rh–Si bond distances ranging from 2.44–2.59 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Y3+, one Rh3+, and one Si4- atom. The Si–Si bond length is 2.53 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to five Y3+, three equivalent Rh3+, and one Si4- atom. The Si–Si bond length is 2.60 Å. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to seven Y3+ and two Si4- atoms. The Si–Si bond length is 2.54 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YSiRh by Materials Project

YRhSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to six equivalent Rh and five equivalent Si atoms. There are a spread of Y–Rh bond distances ranging from 2.98–3.32 Å. There are a spread of Y–Si bond distances ranging from 2.98–3.03 Å. Rh is bonded in a 10-coordinate geometry to six equivalent Y and four equivalent Si atoms. There are a spread of Rh–Si bond distances ranging from 2.48–2.63 Å. Si is bonded in a 9-coordinate geometry to five equivalent Y and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YSiRh2 by Materials Project

YRh2Si crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 9-coordinate geometry to one Y and nine equivalent Rh atoms. The Y–Y bond length is 3.23 Å. There are three shorter (3.01 Å) and six longer (3.12 Å) Y–Rh bond lengths. In the second Y site, Y is bonded in a 6-coordinate geometry to two equivalent Y, twelve equivalent Rh, and six Si atoms. All Y–Rh bond lengths are 3.32 Å. All Y–Si bond lengths are 3.21 Å. Rh is bonded in a 12-coordinate geometry to five Y, four equivalent Rh, and three Si atoms. All Rh–Rh bond lengths are 2.78 Å. There are two shorter (2.42 Å) and one longer (2.55 Å) Rh–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Rh atoms. In the second Si site, Si is bonded in a distorted cuboctahedral geometry to six equivalent Rh atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YSi2Rh3 by Materials Project

YRh3Si2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Y is bonded in a 6-coordinate geometry to twelve equivalent Rh and six equivalent Si atoms. All Y–Rh bond lengths are 3.32 Å. All Y–Si bond lengths are 3.19 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent Y and four equivalent Si atoms. All Rh–Si bond lengths are 2.44 Å. Si is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2Si2Rh by Materials Project

Y2RhSi2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 2-coordinate geometry to four equivalent Rh and six Si atoms. There are a spread of Y–Rh bond distances ranging from 3.06–3.15 Å. There are a spread of Y–Si bond distances ranging from 2.92–3.07 Å. In the second Y site, Y is bonded in a 6-coordinate geometry to two equivalent Rh and six Si atoms. Both Y–Rh bond lengths are 3.26 Å. There are a spread of Y–Si bond distances ranging from 2.90–3.16 Å. Rh is bonded in a 4-coordinate geometry to six Y and four Si atoms. There are a spread of Rh–Si bond distances ranging from 2.45–2.59 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to five Y, three equivalent Rh, and one Si atom. The Si–Si bond length is 2.62 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to seven Y, one Rh, and one Si atom. The Si–Si bond length is 2.56 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y(SiRh)2 by Materials Project

YRh2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent Si atoms. All Y–Rh bond lengths are 3.23 Å. All Y–Si bond lengths are 3.13 Å. Rh is bonded to four equivalent Y and four equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing RhY4Si4 tetrahedra. All Rh–Si bond lengths are 2.41 Å. Si is bonded in a 9-coordinate geometry to four equivalent Y, four equivalent Rh, and one Si atom. The Si–Si bond length is 2.44 Å.

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 Y4Si5Rh9 by Materials Project

Y4Rh9Si5 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to two Y, twelve Rh, and six Si atoms. There are one shorter (3.29 Å) and one longer (3.46 Å) Y–Y bond lengths. There are six shorter (3.27 Å) and six longer (3.38 Å) Y–Rh bond lengths. All Y–Si bond lengths are 3.21 Å. In the second Y site, Y is bonded in a 9-coordinate geometry to one Y and nine equivalent Rh atoms. There are three shorter (3.03 Å) and six longer (3.09 Å) Y–Rh bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to five Y, four equivalent Rh, and three Si atoms. There are two shorter (2.77 Å) and two longer (2.78 Å) Rh–Rh bond lengths. There are two shorter (2.41 Å) and one longer (2.54 Å) Rh–Si bond lengths. In the second Rh site, Rh is bonded in a 4-coordinate geometry to four equivalent Y and four Si atoms. All Rh–Si bond lengths are 2.45 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to three equivalent Y and six Rh atoms. In the second Si site, Si is bonded in a distorted cuboctahedral geometry to six equivalent Rh atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to three equivalent Y and six Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2Si5Rh3 by Materials Project

Y2Rh3Si5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Y is bonded in a 5-coordinate geometry to seven Rh and ten Si atoms. There are a spread of Y–Rh bond distances ranging from 3.09–3.49 Å. There are a spread of Y–Si bond distances ranging from 2.99–3.33 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to four equivalent Y and six Si atoms. There are a spread of Rh–Si bond distances ranging from 2.44–2.68 Å. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five equivalent Y and five Si atoms. There are a spread of Rh–Si bond distances ranging from 2.37–2.49 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 2-coordinate geometry to four equivalent Y, three Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.53 Å. In the second Si site, Si is bonded in a 4-coordinate geometry to four equivalent Y and four equivalent Rh atoms. In the third Si site, Si is bonded in a 3-coordinate geometry to four equivalent Y, three Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.52 Å. In the fourth Si site, Si is bonded in a 9-coordinate geometry to four equivalent Y, three Rh, and two Si atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2Si3Rh by Materials Project

Y2RhSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded to twelve equivalent Si atoms to form YSi12 cuboctahedra that share edges with twelve equivalent YSi8Rh4 cuboctahedra and faces with eight YSi12 cuboctahedra. All Y–Si bond lengths are 3.09 Å. In the second Y site, Y is bonded to four equivalent Rh and eight equivalent Si atoms to form a mixture of distorted edge and face-sharing YSi8Rh4 cuboctahedra. There are two shorter (3.03 Å) and two longer (3.17 Å) Y–Rh bond lengths. There are four shorter (3.04 Å) and four longer (3.13 Å) Y–Si bond lengths. Rh is bonded in a 3-coordinate geometry to six equivalent Y and three equivalent Si atoms. All Rh–Si bond lengths are 2.37 Å. Si is bonded in a 1-coordinate geometry to six Y, one Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.37 Å.

36 MATERIALS SCIENCE↗