Materials Data on V12P7 by Materials Project

Abstract

V12P7 crystallizes in the hexagonal P-6 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 P atoms. There are a spread of V–P bond distances ranging from 2.48–2.63 Å. In the second V site, V is bonded in a 5-coordinate geometry to five P atoms. There are a spread of V–P bond distances ranging from 2.42–2.53 Å. In the third V site, V is bonded in a 4-coordinate geometry to four P atoms. There are a spread of V–P bond distances ranging from 2.33–2.43 Å. In the fourth V site, V is bonded in a 5-coordinate geometry to five P atoms. There are a spread of V–P bond distances ranging from 2.36–2.42 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 8-coordinate geometry to eight V atoms. In the second P site, P is bonded in a 8-coordinate geometry to eight V atoms. In the third P site, P is bonded in a 9-coordinate geometry to nine V atoms.