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Materials Data on ReNF6 by Materials Project

ReNF6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ReNF6 clusters. Re3+ is bonded in a distorted octahedral geometry to one N3+ and five F1- atoms. The Re–N bond length is 1.74 Å. There is four shorter (1.88 Å) and one longer (1.91 Å) Re–F bond length. N3+ is bonded in a distorted linear geometry to one Re3+ and one F1- atom. The N–F bond length is 1.29 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one N3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Re3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Re3+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one Re3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Re3+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one Re3+ atom.

36 MATERIALS SCIENCE↗