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DOE OSTI2020

Materials Data on Rb2HgO2 by Materials Project

Rb2HgO2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb1+ is bonded to five equivalent O2- atoms to form a mixture of edge and corner-sharing RbO5 square pyramids. There are one shorter (2.80 Å) and four longer (3.02 Å) Rb–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 Rb1+ and one Hg2+ atom to form a mixture of distorted edge and corner-sharing ORb5Hg octahedra. The corner-sharing octahedra tilt angles range from 0–15°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbHgO3 by Materials Project

RbHgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rb is bonded to twelve equivalent O atoms to form RbO12 cuboctahedra that share corners with twelve equivalent RbO12 cuboctahedra, faces with six equivalent RbO12 cuboctahedra, and faces with eight equivalent HgO6 octahedra. All Rb–O bond lengths are 3.10 Å. Hg is bonded to six equivalent O atoms to form HgO6 octahedra that share corners with six equivalent HgO6 octahedra and faces with eight equivalent RbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–O bond lengths are 2.19 Å. O is bonded to four equivalent Rb and two equivalent Hg atoms to form a mixture of distorted edge, face, and corner-sharing ORb4Hg2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

36 MATERIALS SCIENCE↗