Journal
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
Volume 74, Issue -, Pages 1392-+Publisher
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S2056989018012161
Keywords
polynitrides; iron tetranitride; high-pressure single-crystal X-ray diffraction; crystal structure
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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 (1) over bar. 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-](infinity)(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.
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