Materials Data on Ag(W3Br7)2 by Materials Project

Abstract

Ag(W3Br7)2 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. W+2.17+ is bonded to five Br1- atoms to form WBr5 square pyramids that share a cornercorner with one AgBr6 octahedra and edges with four equivalent WBr5 square pyramids. The corner-sharing octahedral tilt angles are 45°. There are a spread of W–Br bond distances ranging from 2.61–2.66 Å. Ag1+ is bonded to six equivalent Br1- atoms to form AgBr6 octahedra that share corners with six equivalent WBr5 square pyramids. All Ag–Br bond lengths are 2.91 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent W+2.17+ atoms. In the second Br1- site, Br1- is bonded in a distorted bent 150 degrees geometry to one W+2.17+ and one Ag1+ atom. In the third Br1- site, Br1- is bonded in a 12-coordinate geometry to three equivalent W+2.17+ atoms.