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

Abstract

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 N2 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 [N42-]n units. Based on results of structural studies and theoretical analysis, [N42-]n units in this compound reveal catena-poly[tetraz-1-ene-1,4-diyl] anions.

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [1];  [3];  [1]; ORCiD logo [1];  [4]; ORCiD logo [1]; ORCiD logo [5];  [6];  [3];  [7];  [8];  [9]; ORCiD logo [1]; ORCiD logo [1]
  1. Univ. of Bayreuth (Germany)
  2. Univ. of Bayreuth (Germany); Deutsches Elektronen-Synchrotron, Hamburg (Germany)
  3. Deutsches Elektronen-Synchrotron, Hamburg (Germany)
  4. University of Münster (Germany)
  5. European Synchrotron Radiation Facility, Grenoble Cedex (France)
  6. Univ. of Chicago, Argonne, IL (United States)
  7. Linköping University (Sweden); National University of Science and Technology ‘MISIS’, Moscow (Russia)
  8. National University of Science and Technology ‘MISIS’, Moscow (Russia)
  9. Linköping University (Sweden)
Publication Date:
Research Org.:
Argonne National Laboratory (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1460869
Grant/Contract Number:  
FG02-94ER14466; AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Nature Communications
Additional Journal Information:
Journal Volume: 9; Journal Issue: 1; Journal ID: ISSN 2041-1723
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
ENGLISH
Subject:
36 MATERIALS SCIENCE

Citation Formats

Bykov, M., Bykova, E., Aprilis, G., Glazyrin, K., Koemets, E., Chuvashova, I., Kupenko, I., McCammon, C., Mezouar, M., Prakapenka, V., Liermann, H. -P., Tasnádi, F., Ponomareva, A. V., Abrikosov, I. A., Dubrovinskaia, N., and Dubrovinsky, L. Fe-N system at high pressure reveals a compound featuring polymeric nitrogen chains. United States: N. p., 2018. Web. doi:10.1038/s41467-018-05143-2.
Bykov, M., Bykova, E., Aprilis, G., Glazyrin, K., Koemets, E., Chuvashova, I., Kupenko, I., McCammon, C., Mezouar, M., Prakapenka, V., Liermann, H. -P., Tasnádi, F., Ponomareva, A. V., Abrikosov, I. A., Dubrovinskaia, N., & Dubrovinsky, L. Fe-N system at high pressure reveals a compound featuring polymeric nitrogen chains. United States. https://doi.org/10.1038/s41467-018-05143-2
Bykov, M., Bykova, E., Aprilis, G., Glazyrin, K., Koemets, E., Chuvashova, I., Kupenko, I., McCammon, C., Mezouar, M., Prakapenka, V., Liermann, H. -P., Tasnádi, F., Ponomareva, A. V., Abrikosov, I. A., Dubrovinskaia, N., and Dubrovinsky, L. Mon . "Fe-N system at high pressure reveals a compound featuring polymeric nitrogen chains". United States. https://doi.org/10.1038/s41467-018-05143-2. https://www.osti.gov/servlets/purl/1460869.
@article{osti_1460869,
title = {Fe-N system at high pressure reveals a compound featuring polymeric nitrogen chains},
author = {Bykov, M. and Bykova, E. and Aprilis, G. and Glazyrin, K. and Koemets, E. and Chuvashova, I. and Kupenko, I. and McCammon, C. and Mezouar, M. and Prakapenka, V. and Liermann, H. -P. and Tasnádi, F. and Ponomareva, A. V. and Abrikosov, I. A. and Dubrovinskaia, N. and Dubrovinsky, L.},
abstractNote = {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 N2 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 [N42-]n units. Based on results of structural studies and theoretical analysis, [N42-]n units in this compound reveal catena-poly[tetraz-1-ene-1,4-diyl] anions.},
doi = {10.1038/s41467-018-05143-2},
journal = {Nature Communications},
number = 1,
volume = 9,
place = {United States},
year = {2018},
month = {7}
}

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Emergence of Novel Polynitrogen Molecule-like Species, Covalent Chains, and Layers in Magnesium–Nitrogen Mg x N y Phases under High Pressure
journal, May 2017

  • Yu, Shuyin; Huang, Bowen; Zeng, Qingfeng
  • The Journal of Physical Chemistry C, Vol. 121, Issue 21
  • DOI: 10.1021/acs.jpcc.7b00474

Works referencing / citing this record:

High‐Pressure Synthesis of Metal–Inorganic Frameworks Hf 4 N 20 ⋅N 2 , WN 8 ⋅N 2 , and Os 5 N 28 ⋅3 N 2 with Polymeric Nitrogen Linkers
journal, May 2020

  • Bykov, Maxim; Chariton, Stella; Bykova, Elena
  • Angewandte Chemie International Edition, Vol. 59, Issue 26
  • DOI: 10.1002/anie.202002487

A map of the inorganic ternary metal nitrides
journal, June 2019


Pressure effect on Kohn anomaly and electronic topological transition in single-crystal tantalum
journal, August 2019


High-pressure synthesis of ultraincompressible hard rhenium nitride pernitride Re2(N2)(N)2 stable at ambient conditions
journal, July 2019


Large spin gaps in the half-metals M N 4 ( M =Mn, Fe, Co) with N 2 dimers
journal, May 2019


A Map of the Inorganic Ternary Metal Nitrides
text, January 2018


Synthesis of magnesium-nitrogen salts of polynitrogen anions
journal, October 2019


High-Pressure Synthesis and Phase Stability of Nickel Pernitride: High-Pressure Synthesis and Phase Stability of Nickel Pernitride
journal, August 2019

  • Niwa, Ken; Fukui, Riku; Terabe, Toshiki
  • European Journal of Inorganic Chemistry, Vol. 2019, Issue 33
  • DOI: 10.1002/ejic.201900489

Synthesis of FeN 4 at 180 GPa and its crystal structure from a submicron-sized grain
journal, September 2018

  • Bykov, Maxim; Khandarkhaeva, Saiana; Fedotenko, Timofey
  • Acta Crystallographica Section E Crystallographic Communications, Vol. 74, Issue 10
  • DOI: 10.1107/s2056989018012161

High-pressure synthesis of ultraincompressible hard rhenium nitride pernitride $Re_{2}(N_{2})(N)_{2}$ stable at ambient conditions
text, January 2019

  • Bykov, Maxim; Chariton, Stella; Fei, Hongzhan
  • Deutsches Elektronen-Synchrotron, DESY, Hamburg
  • DOI: 10.3204/pubdb-2019-02755

Single-crystal diffractometer coupled with double-sided laser heating system at the Extreme Conditions Beamline P02.2 at PETRAIII
journal, July 2019

  • Bykova, Elena; Aprilis, Georgios; Bykov, Maxim
  • Review of Scientific Instruments, Vol. 90, Issue 7
  • DOI: 10.1063/1.5108881

Single-crystal diffractometer coupled with double-sided laser heating system at the Extreme Conditions Beamline P02.2 at PETRAIII
text, January 2019

  • Bykova, Elena; Aprilis, Georgios; Bykov, Maxim
  • Deutsches Elektronen-Synchrotron, DESY, Hamburg
  • DOI: 10.3204/pubdb-2019-02949

Synthesis of Manganese Mononitride with Tetragonal Structure under Pressure
journal, September 2019


In-situ growth of iron mononitride thin films studied using x-ray absorption spectroscopy and nuclear resonant scattering
text, January 2019

  • Gupta, Mukul; Pandey, Nidhi; Reddy, V. R.
  • Deutsches Elektronen-Synchrotron, DESY, Hamburg
  • DOI: 10.3204/pubdb-2019-03223