Materials Data on ErAsS by Materials Project

Abstract

ErAsS is Matlockite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er3+ is bonded in a 9-coordinate geometry to four equivalent As1- and five equivalent S2- atoms. There are a spread of Er–As bond distances ranging from 3.10–3.15 Å. There are four shorter (2.79 Å) and one longer (2.83 Å) Er–S bond lengths. As1- is bonded in a 8-coordinate geometry to four equivalent Er3+ and four equivalent As1- atoms. There are two shorter (2.55 Å) and two longer (2.85 Å) As–As bond lengths. S2- is bonded to five equivalent Er3+ atoms to form a mixture of distorted corner and edge-sharing SEr5 trigonal bipyramids.