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DOE OSTI2020

Materials Data on YTiSi by Materials Project

TiSiY is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Y is bonded in a 5-coordinate geometry to five equivalent Si atoms. There are four shorter (2.97 Å) and one longer (3.18 Å) Y–Si bond lengths. Ti is bonded to four equivalent Si atoms to form a mixture of distorted corner and edge-sharing TiSi4 cuboctahedra. All Ti–Si bond lengths are 2.70 Å. Si is bonded in a 9-coordinate geometry to five equivalent Y and four equivalent Ti atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Y2TiSi2 by Materials Project

Ti(YSi)2 crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one titanium molecule and two YSi clusters. In each YSi cluster, Y3+ is bonded in a single-bond geometry to one Si4- atom. The Y–Si bond length is 2.66 Å. Si4- is bonded in a single-bond geometry to one Y3+ atom.

36 MATERIALS SCIENCE↗