Materials Data on La4(MoO4)9 by Materials Project

Abstract

La4(MoO4)9 crystallizes in the cubic I-43d space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to nine O atoms. There are three shorter (2.54 Å) and six longer (2.55 Å) La–O bond lengths. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.79 Å) and two longer (1.81 Å) Mo–O bond length. In the second Mo site, Mo is bonded in a tetrahedral geometry to four equivalent O atoms. All Mo–O bond lengths are 1.80 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted linear geometry to one La and one Mo atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one La and one Mo atom. In the third O site, O is bonded in a bent 150 degrees geometry to one La and one Mo atom.