Abstract
The quaternary nitridochromate(IV) LiSr2[CrN3] crystallizes in a new structure type with the non-centrosymmetric space group P21 (no. 4) with a = 5.5685(7) Å, b = 5.3828(8) Å, c = 7.5381(1) Å, and β = 92.291(8)°. Predominant structural features of the compound are slightly nonplanar trigonal units [CrN3]5-, which are connected by three-fold coordinated lithium to form slabs in the (001) plane. Shorter Cr-N bond lengths in comparison with reported nitridochromates(III), as well as diamagnetic behavior and vibrational spectroscopy data indicate Cr(IV), which is in a good agreement with the charge balance. According to electronic structure calculations, the compound is a semiconductor with a band gap of 1.19 eV.
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