Materials Data on SrZr2Nb by Materials Project

Abstract

SrZr2Nb crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sr is bonded in a distorted body-centered cubic geometry to ten Zr and four equivalent Nb atoms. There are four shorter (3.18 Å) and six longer (3.67 Å) Sr–Zr bond lengths. All Sr–Nb bond lengths are 3.18 Å. There are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 4-coordinate geometry to four equivalent Sr and four equivalent Zr atoms. All Zr–Zr bond lengths are 3.18 Å. In the second Zr site, Zr is bonded in a 4-coordinate geometry to six equivalent Sr, four equivalent Zr, and four equivalent Nb atoms. All Zr–Nb bond lengths are 3.18 Å. Nb is bonded in a distorted body-centered cubic geometry to four equivalent Sr and four equivalent Zr atoms.