Materials Data on Cs2HgO2 by Materials Project
Cs2HgO2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs1+ is bonded to five equivalent O2- atoms to form a mixture of edge and corner-sharing CsO5 square pyramids. There are one shorter (2.92 Å) and four longer (3.24 Å) Cs–O bond lengths. Hg2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Hg–O bond lengths are 2.00 Å. O2- is bonded to five equivalent Cs1+ and one Hg2+ atom to form a mixture of distorted edge and corner-sharing OCs5Hg octahedra. The corner-sharing octahedra tilt angles range from 0–14°.
36 MATERIALS SCIENCE↗