Materials Data on ZnP2H4O9 by Materials Project

Abstract

(ZnP2(HO2)4)2O2 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional and consists of eight water molecules and one ZnP2(HO2)4 framework. In the ZnP2(HO2)4 framework, Zn is bonded to four O atoms to form ZnO4 tetrahedra that share corners with four equivalent PO4 tetrahedra. There is two shorter (1.94 Å) and two longer (1.96 Å) Zn–O bond length. P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.50–1.64 Å. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the second H site, H is bonded in a linear geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.65 Å) H–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to one P and two H atoms. In the second O site, O is bonded in a bent 120 degrees geometry to one P and one H atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Zn and one P atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Zn and one P atom.