Materials Data on PrSe2NO13 by Materials Project

Abstract

PrSe2O9NO2O2 crystallizes in the orthorhombic Pccn space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules; four hydroxylamine, n-hydroxy- molecules; and two PrSe2O9 sheets oriented in the (0, 0, 1) direction. In each PrSe2O9 sheet, Pr is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Pr–O bond distances ranging from 2.38–2.49 Å. Se is bonded in a tetrahedral geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.65–1.69 Å. There are five inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Pr and one Se atom. In the second O site, O is bonded in a single-bond geometry to one Se atom. In the third O site, O is bonded in a single-bond geometry to one Pr atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Pr and one Se atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Pr and one Se atom.