Materials Data on ThMo2O11 by Materials Project
ThMo2O9O2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four oxygen molecules and one ThMo2O9 framework. In the ThMo2O9 framework, Th is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Th–O bond distances ranging from 2.37–2.62 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.79 Å) and one longer (1.82 Å) Mo–O bond length. In the second Mo site, Mo is bonded in a distorted tetrahedral geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.79–2.50 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Th and one Mo atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Th and one Mo atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Th and one Mo atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Th and one Mo atom. In the fifth O site, O is bonded in a single-bond geometry to one Mo atom. In the sixth O site, O is bonded in a 2-coordinate geometry to one Th and one Mo atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one Th and one Mo atom. In the eighth O site, O is bonded in a linear geometry to one Th and one Mo atom. In the ninth O site, O is bonded in a bent 150 degrees geometry to one Th and one Mo atom.