Materials Data on RbZnP2O9 by Materials Project

Abstract

RbZnP2O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Rb is bonded in a 1-coordinate geometry to nine O atoms. There are a spread of Rb–O bond distances ranging from 2.80–3.39 Å. Zn is bonded to four O atoms to form ZnO4 tetrahedra that share corners with four PO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.94–2.00 Å. There are two inequivalent P sites. In the first P site, 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 1.53–1.67 Å. In the second P site, 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 1.50–1.73 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Zn and one P atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Rb, one Zn, and one P atom. In the third O site, O is bonded in a 2-coordinate geometry to one Rb, one Zn, and one P atom. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Rb, one Zn, and one P atom. In the fifth O site, O is bonded in a single-bond geometry to one Rb and one P atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one Rb and one P atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one Rb and one P atom. In the eighth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one P atom. In the ninth O site, O is bonded in a single-bond geometry to one Rb atom.