Materials Data on U2PbS5 by Materials Project

Abstract

U2PbS5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of U–S bond distances ranging from 2.68–2.97 Å. Pb2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pb–S bond distances ranging from 2.73–3.15 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent U4+ and two equivalent Pb2+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent U4+ and one Pb2+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent U4+ and one Pb2+ atom. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent U4+ and one Pb2+ atom.