Materials Data on Zr3P by Materials Project

Abstract

Zr3P crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a distorted see-saw-like geometry to four equivalent P atoms. There are a spread of Zr–P bond distances ranging from 2.76–2.82 Å. In the second Zr site, Zr is bonded in a 3-coordinate geometry to three equivalent P atoms. There are a spread of Zr–P bond distances ranging from 2.69–2.88 Å. In the third Zr site, Zr is bonded in a distorted bent 150 degrees geometry to two equivalent P atoms. There are one shorter (2.73 Å) and one longer (2.78 Å) Zr–P bond lengths. P is bonded in a 9-coordinate geometry to nine Zr atoms.