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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on YSi2 by Materials Project

YSi2 is hexagonal omega structure-like structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Y is bonded to twelve Si atoms to form a mixture of edge and face-sharing YSi12 cuboctahedra. There are a spread of Y–Si bond distances ranging from 3.07–3.16 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Y and three Si atoms. There are two shorter (2.35 Å) and one longer (2.41 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Y and three Si atoms. Both Si–Si bond lengths are 2.35 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y5Si3 by Materials Project

Y5Si3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 3-coordinate geometry to five equivalent Si atoms. There are a spread of Y–Si bond distances ranging from 2.92–3.44 Å. In the second Y site, Y is bonded in a 6-coordinate geometry to six equivalent Si atoms. All Y–Si bond lengths are 3.05 Å. Si is bonded in a 9-coordinate geometry to nine Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YSi2 by Materials Project

YSi2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Y is bonded to twelve equivalent Si atoms to form a mixture of edge and face-sharing YSi12 cuboctahedra. All Y–Si bond lengths are 3.09 Å. Si is bonded in a 9-coordinate geometry to six equivalent Y and three equivalent Si atoms. All Si–Si bond lengths are 2.37 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YSi by Materials Project

YSi crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 5-coordinate geometry to seven equivalent Si atoms. There are a spread of Y–Si bond distances ranging from 2.96–3.13 Å. Si is bonded in a 9-coordinate geometry to seven equivalent Y and two equivalent Si atoms. Both Si–Si bond lengths are 2.50 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y3Si by Materials Project

Y3Si is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y is bonded to eight equivalent Y and four equivalent Si atoms to form distorted YY8Si4 cuboctahedra that share corners with twelve equivalent YY8Si4 cuboctahedra, edges with eight equivalent SiY12 cuboctahedra, edges with sixteen equivalent YY8Si4 cuboctahedra, faces with four equivalent SiY12 cuboctahedra, and faces with fourteen equivalent YY8Si4 cuboctahedra. All Y–Y bond lengths are 3.30 Å. All Y–Si bond lengths are 3.30 Å. Si is bonded to twelve equivalent Y atoms to form SiY12 cuboctahedra that share corners with twelve equivalent SiY12 cuboctahedra, edges with twenty-four equivalent YY8Si4 cuboctahedra, faces with six equivalent SiY12 cuboctahedra, and faces with twelve equivalent YY8Si4 cuboctahedra.

36 MATERIALS SCIENCE↗