Materials Data on La3CoW(SO2)3 by Materials Project

Abstract

La3WCo(SO2)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. La3+ is bonded in a 10-coordinate geometry to four equivalent S2- and six equivalent O2- atoms. There are a spread of La–S bond distances ranging from 2.99–3.24 Å. There are a spread of La–O bond distances ranging from 2.47–2.71 Å. W6+ is bonded in a distorted pentagonal pyramidal geometry to six equivalent O2- atoms. All W–O bond lengths are 1.97 Å. Co3+ is bonded to six equivalent S2- atoms to form face-sharing CoS6 octahedra. All Co–S bond lengths are 2.30 Å. S2- is bonded in a 4-coordinate geometry to four equivalent La3+ and two equivalent Co3+ atoms. O2- is bonded to three equivalent La3+ and one W6+ atom to form a mixture of distorted edge and corner-sharing OLa3W tetrahedra.