Materials Data on BaWO4 by Materials Project

Abstract

BaWO4 is Zircon-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are two shorter (2.79 Å) and six longer (2.80 Å) Ba–O bond lengths. W6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.82 Å) and two longer (1.83 Å) W–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+ and one W6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+ and one W6+ atom.