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DOE OSTI · 1754498

Materials Data on CsNO3 by Materials Project

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Abstract

CsNO3 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to twelve equivalent O2- atoms to form corner-sharing CsO12 cuboctahedra. There are six shorter (3.46 Å) and six longer (3.48 Å) Cs–O bond lengths. In the second Cs1+ site, Cs1+ is bonded in a hexagonal planar geometry to six equivalent O2- atoms. All Cs–O bond lengths are 3.09 Å. N5+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All N–O bond lengths are 1.27 Å. O2- is bonded in a distorted single-bond geometry to three Cs1+ and one N5+ atom.

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36 MATERIALS SCIENCEcrystal structureCs-N-OCsNO3

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2020-04-29. Materials Data on CsNO3 by Materials Project. https://doi.org/10.17188/1754498

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