Issue 13, 2024

Nitridochromate(iv) fluoride – LiCa8[CrN3]2N2F

Abstract

LiCa8[CrIVN3]2N2F (Pnnm (#58), a = 17.5230(13) Å, b = 7.3379(5) Å, c = 4.9433(4) Å) is an example of a multinary nitridochromate fluoride, that provides additional information on almost elusive tetravalent nitridochromates. Shorter Cr–N bond lengths compared to those in the previously reported nitridochromates(III), as well as diamagnetic behavior and vibrational spectroscopy data suggest Cr(IV), which is in good agreement with the charge balance and crystal structure refinement. According to band structure calculations, LiCa8[CrIVN3]2N2F is a semiconductor with a band gap of 1.1 eV. The compound features trigonal planar [CrN3]5 units of Cs symmetry, and lithium, calcium, nitrogen and fluorine atoms arranged in a fragment of the rock salt type structure.

Graphical abstract: Nitridochromate(iv) fluoride – LiCa8[CrN3]2N2F

Supplementary files

Article information

Article type
Paper
Submitted
30 Jan 2024
Accepted
27 Feb 2024
First published
28 Feb 2024
This article is Open Access
Creative Commons BY license

Dalton Trans., 2024,53, 5827-5835

Nitridochromate(IV) fluoride – LiCa8[CrN3]2N2F

N. Gloriozova, Y. Prots, M. Krnel, U. Burkhardt, M. Schmidt, A. Ormeci, F. Jach, P. Höhn and Y. Grin, Dalton Trans., 2024, 53, 5827 DOI: 10.1039/D4DT00283K

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