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DOE OSTI2020

Materials Data on CsNO3 by Materials Project

CsNO3 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Cs1+ is bonded to twelve O2- atoms to form a mixture of face, edge, and corner-sharing CsO12 cuboctahedra. There are a spread of Cs–O bond distances ranging from 3.21–3.41 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. All N–O bond lengths are 1.27 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to four equivalent Cs1+ and one N5+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on CsNO2 by Materials Project

CsNO2 crystallizes in the trigonal P3_121 space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Cs–O bond distances ranging from 3.16–3.61 Å. N3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.27 Å. O2- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one N3+ atom.

36 MATERIALS SCIENCE↗