Synthesis of FeN₄ at 180 GPa and its crystal structure from a submicron-sized grain

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Bykov, Maxim ; Khandarkhaeva, Saiana ; Fedotenko, Timofey ; Sedmak, Pavel ; Dubrovinskaia, Natalia ; Dubrovinsky, Leonid:
Synthesis of FeN₄ at 180 GPa and its crystal structure from a submicron-sized grain.
In: Acta Crystallographica Section E. Bd. 74 (2018) Heft 10 . - S. 1392-1395.
ISSN 1600-5368
DOI: https://doi.org/10.1107/S2056989018012161

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Abstract

Iron tetra­nitride, FeN4, was synthesized from the elements in a laser-heated diamond anvil cell at 180 (5) GPa and 2700 (200) K. Its crystal structure was determined based on single-crystal X-ray diffraction data collected from a submicron-sized grain at the synchrotron beamline ID11 of ESRF. The compound crystallizes in the triclinic space group P\overline{1}. In the asymmetric unit, the Fe atom occupies an inversion centre (Wyckoff position 1d), while two N atoms occupy general positions (2i). The structure is made up from edge-sharing [FeN6] octa­hedra forming chains along [100] and being inter­connected through N—N bridges. N atoms form catena-poly[tetraz-1-ene-1,4-di­yl] anions [–N=N—N—N–]∞2− running along [001]. In comparison with the previously reported structure of FeN4 at 135 GPa [Bykov et al. (2018). Nat. Commun. 9, 2756], the crystal structure of FeN4 at 180 GPa is similar but the structural model is significantly improved in terms of the precision of the bond lengths and angles.