Materials Data on AgAsPbS3 by Materials Project
AgPbAsS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ag1+ is bonded in a 4-coordinate geometry to six S2- atoms. There are a spread of Ag–S bond distances ranging from 2.49–3.57 Å. Pb2+ is bonded to six S2- atoms to form a mixture of distorted corner and edge-sharing PbS6 pentagonal pyramids. There are a spread of Pb–S bond distances ranging from 2.85–3.35 Å. As3+ is bonded in a distorted trigonal non-coplanar geometry to three S2- atoms. There are one shorter (2.29 Å) and two longer (2.30 Å) As–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Ag1+, three equivalent Pb2+, and one As3+ atom. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ag1+, one Pb2+, and one As3+ atom. In the third S2- site, S2- is bonded in a 2-coordinate geometry to two equivalent Ag1+, two equivalent Pb2+, and one As3+ atom.