Bykov Maxim, Khandarkhaeva Saiana, Fedotenko Timofey, Sedmak Pavel, Dubrovinskaia Natalia, Dubrovinsky Leonid
Bayerisches Geoinstitut, University of Bayreuth, 95440 Bayreuth, Germany.
Material Physics and Technology at Extreme Conditions, Laboratory of Crystallography, University of Bayreuth, 95440 Bayreuth, Germany.
Acta Crystallogr E Crystallogr Commun. 2018 Sep 7;74(Pt 10):1392-1395. doi: 10.1107/S2056989018012161. eCollection 2018 Oct 1.
Iron tetra-nitride, FeN, 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 . In the asymmetric unit, the Fe atom occupies an inversion centre (Wyckoff position 1), while two N atoms occupy general positions (2). The structure is made up from edge-sharing [FeN] octa-hedra forming chains along [100] and being inter-connected through N-N bridges. N atoms form -poly[tetraz-1-ene-1,4-di-yl] anions [-N=N-N-N-] running along [001]. In comparison with the previously reported structure of FeN at 135 GPa [Bykov (2018). , 2756], the crystal structure of FeN at 180 GPa is similar but the structural model is significantly improved in terms of the precision of the bond lengths and angles.
四氮化铁（FeN）是在激光加热金刚石对顶砧中，于180（5）吉帕斯卡和2700（200）开尔文的条件下由各元素合成的。其晶体结构是根据在欧洲同步辐射装置（ESRF）的ID11光束线从一个亚微米大小的晶粒收集的单晶X射线衍射数据确定的。该化合物结晶于三斜空间群 。在不对称单元中，Fe原子占据一个对称中心（Wyckoff位置1），而两个N原子占据一般位置（2）。该结构由沿[100]方向形成链状且通过N-N桥相互连接的共边[FeN]八面体组成。N原子形成沿[001]方向延伸的 -聚[四氮-1-烯-1,4-二基]阴离子[-N=N-N-N-]。与之前报道的135吉帕斯卡下FeN的结构[Bykov （2018）。, 2756]相比，180吉帕斯卡下FeN的晶体结构相似，但在键长和键角精度方面，结构模型有显著改进。
