Materials Data on LaSClO4 by Materials Project

Abstract

LaSO4Cl crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 5-coordinate geometry to six O2- and three equivalent Cl1- atoms. There are a spread of La–O bond distances ranging from 2.44–3.03 Å. There are a spread of La–Cl bond distances ranging from 2.93–2.98 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.47–1.52 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one La3+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent La3+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one La3+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent La3+ and one S6+ atom. Cl1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent La3+ atoms.