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Materials Data on USO by Materials Project

USO is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. U4+ is bonded in a 9-coordinate geometry to five equivalent S2- and four equivalent O2- atoms. There are four shorter (2.90 Å) and one longer (2.92 Å) U–S bond lengths. All U–O bond lengths are 2.33 Å. S2- is bonded in a 5-coordinate geometry to five equivalent U4+ atoms. O2- is bonded to four equivalent U4+ atoms to form a mixture of corner and edge-sharing OU4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on USO6 by Materials Project

UO2SO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U6+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.05–2.54 Å. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.46 Å) and two longer (1.51 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent U6+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one S6+ atom.

36 MATERIALS SCIENCE↗