Materials Data on CsNbN2 by Materials Project
CsNbN2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve equivalent N3- atoms. All Cs–N bond lengths are 3.73 Å. Nb5+ is bonded to four equivalent N3- atoms to form corner-sharing NbN4 tetrahedra. All Nb–N bond lengths are 1.95 Å. N3- is bonded in a linear geometry to six equivalent Cs1+ and two equivalent Nb5+ atoms.
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