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DOE OSTI · 1320944

Materials Data on Y2Si3(NiO4)3 by Materials Project

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Abstract

Y2Si3(NiO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Y3+ is bonded to six equivalent O2- atoms to form YO6 octahedra that share corners with six equivalent SiO4 tetrahedra. All Y–O bond lengths are 2.22 Å. Ni2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.34 Å) and four longer (2.44 Å) Ni–O bond lengths. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent YO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Si–O bond lengths are 1.66 Å. O2- is bonded in a 4-coordinate geometry to one Y3+, two equivalent Ni2+, and one Si4+ atom.

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36 MATERIALS SCIENCEcrystal structureNi-O-Si-YY2Si3(NiO4)3

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2020-05-02. Materials Data on Y2Si3(NiO4)3 by Materials Project. https://doi.org/10.17188/1320944

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