Materials Data on LaAsS by Materials Project

Abstract

LaAsS crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 5-coordinate geometry to four equivalent As1- and five equivalent S2- atoms. There are a spread of La–As bond distances ranging from 3.22–3.33 Å. There are four shorter (2.92 Å) and one longer (2.98 Å) La–S bond lengths. As1- is bonded in a 6-coordinate geometry to four equivalent La3+ and two equivalent As1- atoms. There are one shorter (2.56 Å) and one longer (2.58 Å) As–As bond lengths. S2- is bonded to five equivalent La3+ atoms to form a mixture of distorted corner and edge-sharing SLa5 trigonal bipyramids.