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Materials Data on CaHgO2 by Materials Project

CaHgO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form edge-sharing CaO6 octahedra. All Ca–O bond lengths are 2.39 Å. 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 three equivalent Ca2+ and one Hg2+ atom to form a mixture of distorted edge and corner-sharing OCa3Hg tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on CaHgO3 by Materials Project

CaHgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to twelve equivalent O atoms to form CaO12 cuboctahedra that share corners with twelve equivalent CaO12 cuboctahedra, faces with six equivalent CaO12 cuboctahedra, and faces with eight equivalent HgO6 octahedra. All Ca–O bond lengths are 2.96 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 CaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–O bond lengths are 2.10 Å. O is bonded to four equivalent Ca and two equivalent Hg atoms to form a mixture of distorted edge, face, and corner-sharing OCa4Hg2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

36 MATERIALS SCIENCE↗