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Materials Data on Mn2HgO4 by Materials Project

Mn2HgO4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Mn3+ is bonded to six equivalent O2- atoms to form distorted MnO6 octahedra that share corners with six equivalent HgO4 tetrahedra and edges with six equivalent MnO6 octahedra. There are four shorter (1.98 Å) and two longer (2.34 Å) Mn–O bond lengths. Hg2+ is bonded to four equivalent O2- atoms to form HgO4 tetrahedra that share corners with twelve equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 54–65°. All Hg–O bond lengths are 2.27 Å. O2- is bonded to three equivalent Mn3+ and one Hg2+ atom to form a mixture of distorted edge and corner-sharing OMn3Hg tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on Mn2Hg2O7 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗