Fe-N system at high pressure reveals a compound featuring polymeric nitrogen chains

被引：170

作者：

Bykov, M. ^{[1
]}

Bykova, E. ^{[1
,2
]}

Aprilis, G. ^{[3
]}

Glazyrin, K. ^{[2
]}

Koemets, E. ^{[1
]}

Chuvashova, I ^{[1
,3
]}

Kupenko, I ^{[4
]}

McCammon, C. ^{[1
]}

Mezouar, M. ^{[5
]}

Prakapenka, V ^{[6
]}

Liermann, H-P ^{[2
]}

Tasnadi, F. ^{[7
,8
]}

Ponomareva, A., V ^{[8
]}

Abrikosov, I. A. ^{[7
]}

Dubrovinskaia, N. ^{[3
]}

Dubrovinsky, L. ^{[1
]}

机构：

[1] Univ Bayreuth, Bayer Geoinst, D-95440 Bayreuth, Germany

[2] DESY, Photon Sci, Notkestr 85, D-22607 Hamburg, Germany

[3] Univ Bayreuth, Lab Crystallog, Mat Phys & Technol Extreme Condit, D-95440 Bayreuth, Germany

[4] Univ Munster, Inst Mineral, Corrensstr 24, D-48149 Munster, Germany

[5] European Synchrotron Radiat Facil, BP 220, F-38043 Grenoble, France

[6] Univ Chicago, Ctr Adv Radiat Sources, 9700 South Cass Ave, Argonne, IL 60437 USA

[7] Linkoping Univ, Dept Phys Chem & Biol IFM, SE-58183 Linkoping, Sweden

[8] Natl Univ Sci & Technol MISIS, Mat Modeling & Dev Lab, Moscow 119049, Russia

来源：

NATURE COMMUNICATIONS | 2018年 / 9卷

基金：

美国国家科学基金会; 瑞典研究理事会;

关键词：

TOTAL-ENERGY CALCULATIONS; STRUCTURE REFINEMENT; CRYSTAL-STRUCTURE; NITRIDES; POLYNITRIDES; PERNITRIDE; IRON; PENTAZOLATE; PREDICTION; PLATINUM;

D O I：

10.1038/s41467-018-05143-2

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

Poly-nitrogen compounds have been considered as potential high energy density materials for a long time due to the large number of energetic N-N or N=N bonds. In most cases high nitrogen content and stability at ambient conditions are mutually exclusive, thereby making the synthesis of such materials challenging. One way to stabilize such compounds is the application of high pressure. Here, through a direct reaction between Fe and N-2 in a laser-heated diamond anvil cell, we synthesize three ironnitrogen compounds Fe3N2, FeN2 and FeN4. Their crystal structures are revealed by single-crystal synchrotron X-ray diffraction. Fe3N2, synthesized at 50 GPa, is isostructural to chromium carbide Cr3C2. FeN2 has a marcasite structure type and features covalently bonded dinitrogen units in its crystal structure. FeN4, synthesized at 106 GPa, features polymeric nitrogen chains of [N-4(2-)](n) units. Based on results of structural studies and theoretical analysis, [N-4(2-)](n) units in this compound reveal catena-poly[tetraz-1-ene-1,4-diyl] anions.

引用

页数：8

共 80 条

[1] Pressure calibration of diamond anvil Raman gauge to 310 GPa [J].