Materials Data on LaH4S2NO8 by Materials Project

Abstract

La(SO4)2NH4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional and consists of two ammonium molecules and one La(SO4)2 framework. In the La(SO4)2 framework, La3+ is bonded in a 7-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.42–2.97 Å. There are two inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a tetrahedral geometry to four O2- atoms. All S–O bond lengths are 1.49 Å. In the second S2+ site, S2+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.51 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one La3+ and one S2+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one La3+ and one S2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one La3+ and one S2+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one La3+ and one S2+ atom. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one La3+ and one S2+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to two equivalent La3+ and one S2+ atom.