Materials Data on ThP2O9 by Materials Project
ThP2O9 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Th is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Th–O bond distances ranging from 2.26–2.81 Å. There are two inequivalent P sites. In the first P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.53–1.58 Å. In the second P site, P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.51–1.75 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 P atom. In the second O site, O is bonded in a distorted linear geometry to one Th and one P atom. In the third O site, O is bonded in a single-bond geometry to one P atom. In the fourth O site, O is bonded in a distorted linear geometry to one Th and one P atom. In the fifth O site, O is bonded in a distorted linear geometry to one Th and one P atom. In the sixth O site, O is bonded in a linear geometry to one Th and one P atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one Th and one P atom. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to one P and one O atom. The O–O bond length is 1.34 Å. In the ninth O site, O is bonded in a water-like geometry to one Th and one O atom.