Materials Data on Zr3Sb by Materials Project

Abstract

Zr3Sb crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a distorted water-like geometry to two equivalent Sb atoms. There are one shorter (2.93 Å) and one longer (3.06 Å) Zr–Sb bond lengths. In the second Zr site, Zr is bonded in a 3-coordinate geometry to three equivalent Sb atoms. There are a spread of Zr–Sb bond distances ranging from 2.91–3.11 Å. In the third Zr site, Zr is bonded in a 4-coordinate geometry to four equivalent Sb atoms. There are a spread of Zr–Sb bond distances ranging from 2.95–2.98 Å. Sb is bonded in a 9-coordinate geometry to nine Zr atoms.