Materials Data on InPO6 by Materials Project

(InPO5)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of two hydrogen peroxide molecules and one InPO5 framework. In the InPO5 framework, In is bonded to five O atoms to form InO5 trigonal bipyramids that share corners with four equivalent PO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.08–2.31 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with four equivalent InO5 trigonal bipyramids. There are a spread of P–O bond distances ranging from 1.52–1.70 Å. There are five inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one In and one P atom. In the second O site, O is bonded in a bent 120 degrees geometry to one In and one P atom. In the third O site, O is bonded in a 3-coordinate geometry to one In, one P, and one O atom. The O–O bond length is 1.49 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to one In and one P atom. In the fifth O site, O is bonded in a water-like geometry to one In and one O atom.