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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↗