Materials Data on PrSe2NO13 by Materials Project

Abstract

(PrSe2O13)2N2 crystallizes in the orthorhombic Pccn space group. The structure is two-dimensional and consists of four ammonia molecules and two PrSe2O13 sheets oriented in the (0, 0, 1) direction. In each PrSe2O13 sheet, Pr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Pr–O bond distances ranging from 2.41–2.87 Å. Se is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.68 Å) and two longer (1.69 Å) Se–O bond length. There are seven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Se atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Pr and one Se atom. In the third O site, O is bonded in a single-bond geometry to one Se atom. In the fourth O site, O is bonded in a single-bond geometry to one Pr atom. In the fifth O site, O is bonded in a single-bond geometry to one Pr atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Pr and one Se atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Pr and one O atom. The O–O bond length is 1.23 Å.