Materials Data on V5As3 by Materials Project

Abstract

V5As3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent V sites. In the first V site, V is bonded in a 5-coordinate geometry to five As atoms. There are a spread of V–As bond distances ranging from 2.49–2.66 Å. In the second V site, V is bonded in a 6-coordinate geometry to six As atoms. There are a spread of V–As bond distances ranging from 2.55–2.68 Å. In the third V site, V is bonded to five As atoms to form distorted edge-sharing VAs5 square pyramids. There are a spread of V–As bond distances ranging from 2.52–2.54 Å. In the fourth V site, V is bonded in a 5-coordinate geometry to five As atoms. There are a spread of V–As bond distances ranging from 2.49–2.76 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 8-coordinate geometry to eight V atoms. In the second As site, As is bonded in a 9-coordinate geometry to nine V atoms.