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DOE OSTI · 1653441

Materials Data on BaSi2(NO)2 by Materials Project

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Abstract

BaSi2O2N2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ba–O bond distances ranging from 2.77–3.04 Å. Si4+ is bonded to three equivalent N3- and one O2- atom to form corner-sharing SiN3O tetrahedra. There is one shorter (1.75 Å) and two longer (1.76 Å) Si–N bond length. The Si–O bond length is 1.63 Å. N3- is bonded in a trigonal planar geometry to three equivalent Si4+ atoms. O2- is bonded in a distorted single-bond geometry to four equivalent Ba2+ and one Si4+ atom.

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36 MATERIALS SCIENCEBa-N-O-SiBaSi2(NO)2crystal structure

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2019-01-13. Materials Data on BaSi2(NO)2 by Materials Project. https://doi.org/10.17188/1653441

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