Materials Data on ZrReSi by Materials Project

Abstract

ZrReSi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to six equivalent Re and five Si atoms. There are two shorter (2.95 Å) and four longer (3.02 Å) Zr–Re bond lengths. There are four shorter (2.74 Å) and one longer (2.84 Å) Zr–Si bond lengths. Re is bonded in a 10-coordinate geometry to six equivalent Zr and four Si atoms. There are two shorter (2.48 Å) and two longer (2.66 Å) Re–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Re atoms. In the second Si site, Si is bonded in a 6-coordinate geometry to six equivalent Zr and three equivalent Re atoms.