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Materials Data on CsOsNO3 by Materials Project

CsOsNO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to two equivalent N3- and eight O2- atoms. There are one shorter (3.40 Å) and one longer (3.52 Å) Cs–N bond lengths. There are a spread of Cs–O bond distances ranging from 3.20–3.44 Å. Os8+ is bonded in a tetrahedral geometry to one N3- and three O2- atoms. The Os–N bond length is 1.70 Å. There is one shorter (1.76 Å) and two longer (1.77 Å) Os–O bond length. N3- is bonded in a single-bond geometry to two equivalent Cs1+ and one Os8+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Os8+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one Os8+ atom.

36 MATERIALS SCIENCE↗