Materials Data on Nb12Br17F13 by Materials Project

Kristin Persson
Nb12Br17F13 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent Nb+2.50+ sites. In the first Nb+2.50+ site, Nb+2.50+ is bonded to three Br1- and two F1- atoms to form distorted corner-sharing NbBr3F2 square pyramids. There are a spread of Nb–Br bond distances ranging from 2.60–2.77 Å. There are one shorter (2.09 Å) and one longer (2.10 Å) Nb–F bond lengths. In the second Nb+2.50+ site, Nb+2.50+ is bonded to...
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