Results for “Pd-S-U” | Engineering Papers

DOE OSTI2020

Materials Data on U(PdS2)2 by Materials Project

UPd2S4 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are four shorter (2.78 Å) and four longer (2.87 Å) U–S bond lengths. Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. There are two shorter (2.35 Å) and two longer (2.37 Å) Pd–S bond lengths. S2- is bonded to two equivalent U4+ and two equivalent Pd2+ atoms to form a mixture of distorted edge and corner-sharing SU2Pd2 tetrahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on U2PdS4 by Materials Project

U2PdS4 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. U3+ is bonded to seven S2- atoms to form distorted US7 pentagonal bipyramids that share corners with four equivalent US7 pentagonal bipyramids, corners with two equivalent PdS4 trigonal pyramids, edges with seven equivalent US7 pentagonal bipyramids, and edges with two equivalent PdS4 trigonal pyramids. There are a spread of U–S bond distances ranging from 2.73–2.83 Å. Pd2+ is bonded to four equivalent S2- atoms to form distorted PdS4 trigonal pyramids that share corners with four equivalent US7 pentagonal bipyramids, corners with four equivalent PdS4 trigonal pyramids, and edges with four equivalent US7 pentagonal bipyramids. There are two shorter (2.39 Å) and two longer (2.56 Å) Pd–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted pentagonal planar geometry to three equivalent U3+ and two equivalent Pd2+ atoms. In the second S2- site, S2- is bonded to four equivalent U3+ atoms to form a mixture of distorted edge and corner-sharing SU4 tetrahedra.

36 MATERIALS SCIENCE↗