Materials Data on USiS by Materials Project

Abstract

USiS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U6+ is bonded in a 9-coordinate geometry to five equivalent Si4- and four equivalent S2- atoms. There are one shorter (2.77 Å) and four longer (2.99 Å) U–Si bond lengths. All U–S bond lengths are 2.70 Å. Si4- is bonded to five equivalent U6+ atoms to form distorted SiU5 trigonal bipyramids that share corners with twelve equivalent SU4 tetrahedra, corners with four equivalent SiU5 trigonal bipyramids, edges with four equivalent SU4 tetrahedra, and edges with eight equivalent SiU5 trigonal bipyramids. S2- is bonded to four equivalent U6+ atoms to form distorted SU4 tetrahedra that share corners with four equivalent SU4 tetrahedra, corners with twelve equivalent SiU5 trigonal bipyramids, edges with four equivalent SU4 tetrahedra, and edges with four equivalent SiU5 trigonal bipyramids.