Materials Data on SmAsS by Materials Project

Abstract

SmAsS is Matlockite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 5-coordinate geometry to four equivalent As1- and five equivalent S2- atoms. There are a spread of Sm–As bond distances ranging from 3.13–3.26 Å. There are a spread of Sm–S bond distances ranging from 2.84–2.91 Å. As1- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent As1- atoms. There are two shorter (2.59 Å) and two longer (2.95 Å) As–As bond lengths. S2- is bonded to five equivalent Sm3+ atoms to form a mixture of distorted edge and corner-sharing SSm5 trigonal bipyramids.