Materials Data on CeAsS by Materials Project

Abstract

CeAsS is Matlockite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to four equivalent As1- and five equivalent S2- atoms. There are two shorter (3.15 Å) and two longer (3.17 Å) Ce–As bond lengths. There are four shorter (2.86 Å) and one longer (2.91 Å) Ce–S bond lengths. As1- is bonded in a 8-coordinate geometry to four equivalent Ce3+ and four equivalent As1- atoms. There are two shorter (2.68 Å) and two longer (2.89 Å) As–As bond lengths. S2- is bonded to five equivalent Ce3+ atoms to form a mixture of distorted corner and edge-sharing SCe5 trigonal bipyramids.