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

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.

doi:10.1038/s41467-018-05143-2

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

Journal Article · 16 July 2018 · Nature Communications

DOI: https://doi.org/10.1038/s41467-018-05143-2 · OSTI ID:1460869

^[1];

^[2];

^[1]; Glazyrin, K. ^[3]; Koemets, E. ^[1];

^[1]; Kupenko, I. ^[4];

^[1];

^[5]; Prakapenka, V. ^[6]; Liermann, H. -P. ^[3]; Tasnádi, F. ^[7]; Ponomareva, A. V. ^[8]; Abrikosov, I. A. ^[9];

^[1];

^[1]

Univ. of Bayreuth (Germany)
Univ. of Bayreuth (Germany); Deutsches Elektronen-Synchrotron, Hamburg (Germany)
Deutsches Elektronen-Synchrotron, Hamburg (Germany)
University of Münster (Germany)
European Synchrotron Radiation Facility, Grenoble Cedex (France)
Univ. of Chicago, Argonne, IL (United States)
Linköping University (Sweden); National University of Science and Technology ‘MISIS’, Moscow (Russia)
National University of Science and Technology ‘MISIS’, Moscow (Russia)
Linköping University (Sweden)

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 [N₄^2-]_n units. Based on results of structural studies and theoretical analysis, [N₄^2-]_n units in this compound reveal catena-poly[tetraz-1-ene-1,4-diyl] anions.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: FG02-94ER14466; AC02-06CH11357

OSTI ID:: 1460869

Journal Information:: Nature Communications, Journal Name: Nature Communications Journal Issue: 1 Vol. 9; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: ENGLISH

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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 Bykov, Maxim; Chariton, Stella; Bykova, Elena Angewandte Chemie International Edition, Vol. 59, Issue 26 https://doi.org/10.1002/anie.202002487	journal	May 2020
Electrochemical Synthesis of Highly Nitrogen Containing γ- FeN _0.13 and ε -Fe ₃ N _1.51 in a Molten Salt System : Electrochemical Synthesis of Highly Nitrogen Containing Lehmann, Tanja S.; Niewa, Rainer European Journal of Inorganic Chemistry, Vol. 2019, Issue 5 https://doi.org/10.1002/ejic.201801294	journal	January 2019
High-Pressure Synthesis and Phase Stability of Nickel Pernitride: High-Pressure Synthesis and Phase Stability of Nickel Pernitride Niwa, Ken; Fukui, Riku; Terabe, Toshiki European Journal of Inorganic Chemistry, Vol. 2019, Issue 33 https://doi.org/10.1002/ejic.201900489	journal	August 2019
High-pressure synthesis of ultraincompressible hard rhenium nitride pernitride Re2(N2)(N)2 stable at ambient conditions Bykov, Maxim; Chariton, Stella; Fei, Hongzhan Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-10995-3	journal	July 2019
Synthesis of magnesium-nitrogen salts of polynitrogen anions Laniel, Dominique; Winkler, Bjoern; Koemets, Egor Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-12530-w	journal	October 2019
A map of the inorganic ternary metal nitrides Sun, Wenhao; Bartel, Christopher J.; Arca, Elisabetta Nature Materials, Vol. 18, Issue 7 https://doi.org/10.1038/s41563-019-0396-2	journal	June 2019
Single-crystal diffractometer coupled with double-sided laser heating system at the Extreme Conditions Beamline P02.2 at PETRAIII Bykova, Elena; Aprilis, Georgios; Bykov, Maxim Review of Scientific Instruments, Vol. 90, Issue 7 https://doi.org/10.1063/1.5108881	journal	July 2019
Pressure effect on Kohn anomaly and electronic topological transition in single-crystal tantalum Zhang, Youjun; Yang, Chao; Alatas, Ahmet Physical Review B, Vol. 100, Issue 7 https://doi.org/10.1103/physrevb.100.075145	journal	August 2019
Large spin gaps in the half-metals M N 4 ( M =Mn, Fe, Co) with N 2 dimers Deng, Jun; Liu, Ning; Guo, Jiangang Physical Review B, Vol. 99, Issue 18 https://doi.org/10.1103/physrevb.99.184409	journal	May 2019
Synthesis of FeN ₄ at 180 GPa and its crystal structure from a submicron-sized grain Bykov, Maxim; Khandarkhaeva, Saiana; Fedotenko, Timofey Acta Crystallographica Section E Crystallographic Communications, Vol. 74, Issue 10 https://doi.org/10.1107/s2056989018012161	journal	September 2018
High-pressure synthesis of ultraincompressible hard rhenium nitride pernitride Re2(N2)N2 stable at ambient conditions Bykov, Maxim; Fei, Hongzhan; Ponomareva, Alena V. Unpublished https://doi.org/10.13140/rg.2.2.31484.59525	text	January 2019
High-pressure synthesis of ultraincompressible hard rhenium nitride pernitride $Re_{2}(N_{2})(N)_{2}$ stable at ambient conditions Bykov, Maxim; Chariton, Stella; Fei, Hongzhan Deutsches Elektronen-Synchrotron, DESY, Hamburg https://doi.org/10.3204/pubdb-2019-02755	text	January 2019
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In-situ growth of iron mononitride thin films studied using x-ray absorption spectroscopy and nuclear resonant scattering Gupta, Mukul; Pandey, Nidhi; Reddy, V. R. Deutsches Elektronen-Synchrotron, DESY, Hamburg https://doi.org/10.3204/pubdb-2019-03223	text	January 2019
High‐Pressure Synthesis of Metal–Inorganic Frameworks $Hf{4}N_{2}0 ⋅ N_{2}$ , $WN_{8} ⋅ N_{2}$ , and $Os_{5}N_{28}$ ⋅ 3 $N_{2}$ with Polymeric Nitrogen Linkers Bykov, Maxim; Chariton, Stella; Bykova, Elena Deutsches Elektronen-Synchrotron, DESY, Hamburg https://doi.org/10.3204/pubdb-2021-00175	text	January 2020
Synthesis of Manganese Mononitride with Tetragonal Structure under Pressure Huang, Dajian; Niu, Caoping; Yan, Bingmin Crystals, Vol. 9, Issue 10 https://doi.org/10.3390/cryst9100511	journal	September 2019
A Map of the Inorganic Ternary Metal Nitrides Sun, Wenhao; Bartel, Christopher; Arca, Elisabetta arXiv https://doi.org/10.48550/arxiv.1809.09202	text	January 2018

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CSD 1882392: Experimental Crystal Structure Determination M., Bykov,; E., Bykova,; G., Aprilis, https://doi.org/10.25505/fiz.icsd.cc215sbc The current record is supplemented by this dataset	dataset	January 2018
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Title: Fe-N system at high pressure reveals a compound featuring polymeric nitrogen chains

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