Materials Data on V20As11 by Materials Project

Abstract

V20As11 crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. there are five inequivalent V sites. In the first V site, V is bonded in a 4-coordinate geometry to four As atoms. There are a spread of V–As bond distances ranging from 2.51–2.53 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 2.50–2.80 Å. In the third 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 2.49–2.85 Å. In the fourth V site, V is bonded in a 3-coordinate geometry to five As atoms. There are a spread of V–As bond distances ranging from 2.48–2.85 Å. In the fifth 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 2.53–2.76 Å. There are six inequivalent As sites. In the first As site, As is bonded in a 10-coordinate geometry to ten V atoms. In the second As site, As is bonded in a 10-coordinate geometry to ten V atoms. In the third As site, As is bonded in a 10-coordinate geometry to ten V atoms. In the fourth As site, As is bonded in a 10-coordinate geometry to eight V and two equivalent As atoms. Both As–As bond lengths are 2.43 Å. In the fifth As site, As is bonded in a 8-coordinate geometry to eight V atoms. In the sixth As site, As is bonded in a 10-coordinate geometry to eight V and two equivalent As atoms.