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DOE OSTI · 1193462

Materials Data on Si(NiO2)2 by Materials Project

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Abstract

Ni2SiO4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ni2+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with six equivalent NiO6 octahedra. All Ni–O bond lengths are 2.08 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with twelve equivalent NiO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Si–O bond lengths are 1.67 Å. O2- is bonded in a rectangular see-saw-like geometry to three equivalent Ni2+ and one Si4+ atom.

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36 MATERIALS SCIENCEcrystal structureNi-O-SiSi(NiO2)2

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2020-07-15. Materials Data on Si(NiO2)2 by Materials Project. https://doi.org/10.17188/1193462

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