Materials Data on Zr5Ir3 by Materials Project
Zr5Ir3 crystallizes in the hexagonal P6_122 space group. The structure is three-dimensional. there are four inequivalent Zr sites. In the first Zr site, Zr is bonded in a 4-coordinate geometry to four Ir atoms. There are a spread of Zr–Ir bond distances ranging from 2.74–3.00 Å. In the second Zr site, Zr is bonded in a 6-coordinate geometry to six Ir atoms. There are a spread of Zr–Ir bond distances ranging from 2.80–2.99 Å. In the third Zr site, Zr is bonded in a 5-coordinate geometry to five Ir atoms. There are four shorter (2.77 Å) and one longer (2.93 Å) Zr–Ir bond lengths. In the fourth Zr site, Zr is bonded in a 6-coordinate geometry to six Ir atoms. There are a spread of Zr–Ir bond distances ranging from 2.73–2.99 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to nine Zr atoms. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight Zr atoms.