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High-Pressure Synth...
High-Pressure Synthesis of the beta-Zn3N2 Nitride and the alpha-ZnN4 and beta-ZnN4 Polynitrogen Compounds
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- Laniel, Dominique (författare)
- Univ Bayreuth, Germany
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- Aslandukova, Alena A. (författare)
- Univ Bayreuth, Germany
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- Aslandukov, Andrey N. (författare)
- Univ Bayreuth, Germany
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- Fedotenko, Timofey (författare)
- Univ Bayreuth, Germany
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- Chariton, Stella (författare)
- Univ Chicago, IL 60637 USA
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- Glazyrin, Konstantin (författare)
- DESY, Germany
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- Prakapenka, Vitali B. (författare)
- Univ Chicago, IL 60637 USA
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- Dubrovinsky, Leonid S. (författare)
- Univ Bayreuth, Germany
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- Doubrovinckaia, Natalia (författare)
- Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten,Univ Bayreuth, Germany
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(creator_code:org_t)
- 2021-09-14
- 2021
- Engelska.
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Ingår i: Inorganic Chemistry. - : AMER CHEMICAL SOC. - 0020-1669 .- 1520-510X. ; 60:19, s. 14594-14601
- Relaterad länk:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Ämnesord
Stäng
- High-pressure nitrogen chemistry has expanded at a formidable rate over the past decade, unveiling the chemical richness of nitrogen. Here, the Zn-N system is investigated in laser-heated diamond anvil cells by synchrotron powder and single-crystal X-ray diffraction, revealing three hitherto unobserved nitrogen compounds: beta-Zn3N2, alpha-ZnN4, and beta-ZnN4, formed at 35.0, 63.5, and 81.7 GPa, respectively. Whereas beta-Zn3N2 contains the N3- nitride, both ZnN4 solids are found to be composed of polyacetylene-like [N-4](infinity)(2-) chains. Upon the decompression of beta-ZnN4 below 72.7 GPa, a first-order displacive phase transition is observed from beta-ZnN4 to alpha-ZnN4. The alpha-ZnN4 phase is detected down to 11.0 GPa, at lower pressures decomposing into the known alpha-Zn3N2 (space group Ia (3) over bar) and N-2. The equations of states of beta-ZnN4 and alpha-ZnN4 are also determined, and their bulk moduli are found to be K-0 = 126(9) GPa and K-0 = 76(12) GPa, respectively. Density functional theory calculations were also performed and provide further insight into the Zn-N system. Moreover, comparing the Mg-N and Zn-N systems underlines the importance of minute chemical differences between metal cations in the resulting synthesized phases.
Ämnesord
- NATURVETENSKAP -- Kemi -- Oorganisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Inorganic Chemistry (hsv//eng)
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