Materials Data on YbAsS by Materials Project

Abstract

YbAsS crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Yb3+ is bonded to two equivalent As1- and five equivalent S2- atoms to form distorted YbAs2S5 square pyramids that share corners with four equivalent YbAs2S5 square pyramids, corners with four equivalent AsYb2As2 trigonal pyramids, edges with six equivalent YbAs2S5 square pyramids, and faces with two equivalent YbAs2S5 square pyramids. There are one shorter (3.41 Å) and one longer (3.67 Å) Yb–As bond lengths. There are a spread of Yb–S bond distances ranging from 2.76–2.80 Å. As1- is bonded to two equivalent Yb3+ and two equivalent As1- atoms to form distorted AsYb2As2 trigonal pyramids that share corners with four equivalent YbAs2S5 square pyramids, corners with six equivalent SYb5 square pyramids, corners with four equivalent AsYb2As2 trigonal pyramids, and edges with two equivalent SYb5 square pyramids. There are one shorter (2.46 Å) and one longer (2.48 Å) As–As bond lengths. S2- is bonded to five equivalent Yb3+ atoms to form SYb5 square pyramids that share corners with four equivalent SYb5 square pyramids, corners with six equivalent AsYb2As2 trigonal pyramids, edges with eight equivalent SYb5 square pyramids, and edges with two equivalent AsYb2As2 trigonal pyramids.