| Autor: |
Gloriozova N; Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Straße 40, 01187 Dresden, Germany., Prots Y; Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Straße 40, 01187 Dresden, Germany., Jach F; Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Straße 40, 01187 Dresden, Germany.; Faculty of Chemistry and Food Chemistry, Technische Universität Dresden, 01062 Dresden, Germany., Krnel M; Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Straße 40, 01187 Dresden, Germany., Bobnar M; Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Straße 40, 01187 Dresden, Germany., Ormeci A; Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Straße 40, 01187 Dresden, Germany., Grin Y; Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Straße 40, 01187 Dresden, Germany., Höhn P; Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Straße 40, 01187 Dresden, Germany. |
| Abstrakt: |
The quaternary nitridochromate(IV) LiSr 2 [CrN 3 ] crystallizes in a new structure type with the non-centrosymmetric space group P 2 1 (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 [CrN 3 ] 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. |
