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DOE OSTI2020

Materials Data on Si3Ir by Materials Project

IrSi3 is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ir4+ is bonded in a 5-coordinate geometry to eleven Si+1.33- atoms. There are a spread of Ir–Si bond distances ranging from 2.49–2.80 Å. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 1-coordinate geometry to four equivalent Ir4+ atoms. In the second Si+1.33- site, Si+1.33- is bonded in a trigonal planar geometry to three equivalent Ir4+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Si3Ir by Materials Project

IrSi3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ir4+ is bonded in a 9-coordinate geometry to nine equivalent Si+1.33- atoms. There are three shorter (2.51 Å) and six longer (2.64 Å) Ir–Si bond lengths. Si+1.33- is bonded in a 7-coordinate geometry to three equivalent Ir4+ and four equivalent Si+1.33- atoms. There are two shorter (2.38 Å) and two longer (2.40 Å) Si–Si bond lengths.

36 MATERIALS SCIENCE↗