Materials Data on PW3 by Materials Project

Abstract

W3P crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent W sites. In the first W site, W is bonded in a 2-coordinate geometry to two equivalent P atoms. There are one shorter (2.53 Å) and one longer (2.54 Å) W–P bond lengths. In the second W site, W is bonded in a 4-coordinate geometry to four equivalent P atoms. There are a spread of W–P bond distances ranging from 2.50–2.53 Å. In the third W site, W is bonded in a distorted bent 120 degrees geometry to two equivalent P atoms. There are one shorter (2.44 Å) and one longer (2.46 Å) W–P bond lengths. P is bonded in a 8-coordinate geometry to eight W atoms.