Materials Data on Cs2UHg2Se5 by Materials Project
Cs2Hg2USe5 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of Cs–Se bond distances ranging from 3.62–3.78 Å. U4+ is bonded to six Se2- atoms to form edge-sharing USe6 octahedra. There are a spread of U–Se bond distances ranging from 2.87–2.89 Å. Hg2+ is bonded in a rectangular see-saw-like geometry to four Se2- atoms. There are a spread of Hg–Se bond distances ranging from 2.57–2.96 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Cs1+, one U4+, and two equivalent Hg2+ atoms. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Cs1+, two equivalent U4+, and one Hg2+ atom. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and two equivalent Hg2+ atoms.