Materials Data on ZrNF by Materials Project
ZrNF crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Zr4+ is bonded to four equivalent N3- and three equivalent F1- atoms to form a mixture of distorted edge and corner-sharing ZrN4F3 pentagonal bipyramids. There are a spread of Zr–N bond distances ranging from 2.13–2.19 Å. There are a spread of Zr–F bond distances ranging from 2.24–2.45 Å. N3- is bonded to four equivalent Zr4+ atoms to form a mixture of distorted edge and corner-sharing NZr4 tetrahedra. F1- is bonded in a 3-coordinate geometry to three equivalent Zr4+ atoms.
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