Materials Data on Zr4H22N4O3F20 by Materials Project

Kristin Persson
(Zr4NH5(OF10)2)2(NH4)6(H2)3(H2O)2 crystallizes in the monoclinic Cc space group. The structure is three-dimensional and consists of twelve ammonium molecules, eight hydrogen molecules, four water molecules, and one Zr4NH5(OF10)2 framework. In the Zr4NH5(OF10)2 framework, there are four inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Zr–F bond distances ranging from 2.04–2.28 Å. In the second Zr4+ site, Zr4+ is bonded in...
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