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Investigation in th...
Investigation in the ternary Ta-Ni-P system : Solid state phase equilibria at T=1070 K, crystal and electronic structures of new ternary phosphides
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Babizhetskyy, V. (författare)
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Lomnytska, Ya. (författare)
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Dzevenko, M. (författare)
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Zheng, C. (författare)
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- Smetana, Volodymyr (författare)
- Stockholms universitet,Institutionen för material- och miljökemi (MMK)
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- Mudring, Anja-Verena (författare)
- Stockholms universitet,Institutionen för material- och miljökemi (MMK)
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(creator_code:org_t)
- Elsevier BV, 2021
- 2021
- Engelska.
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Ingår i: Journal of Alloys and Compounds. - : Elsevier BV. - 0925-8388 .- 1873-4669. ; 864
- 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
- The solid state phase diagram for the ternary Ta-Ni-P system was established at T=1070 K in the region of up to 67 at% of P by means of X-ray powder diffraction methods (PXRD). Six ternary compounds, namely Ta4NiP (Nb4CoSi-type), Ta1.10-0.82Ni0.90-1.18P (TiNiSi-type), TaNiP2 (NbNiP2-type), Ta(5.00-4.81)Ni(4.00-4.19)P4 (Nb5Cu4Si4-type), TaNi2P (own structure type) and Ta1-0.08(1)Ni0.08(1)P2 (OsGe2-type) have been confirmed to exist. Rather minor Ta/Ni homogeneity ranges have been found for alpha-Ta3-xNixP (x=0.2) (Ti3P-type), Ta1-xNixP (x=0.18) (NbAs-type), Ni3-xTaxP (x=0.2) (Ni3P-type) and Ni2-xTaxP (x=0.25) (Fe2P-type). The crystal structure of Ta4.811(9)Ni4.189(9)P4 has been refined from single crystal X-ray diffraction data (Nb5Cu4Si4-type, space group I4/m, a =9.8474(17), c=3.5182(7) angstrom, R1=0.0283, wR2=0.0470), while that of the new TaNi2P compound was determined by means of PXRD. This phosphide crystalizes in its own structure type (space group Pnma, a=8.3588(3), b=3.5208(1), c=6.7051(3) angstrom, R-I=0.044, R-P=0.161). A new isostructural Fe-compound, TaFe2P (a=8.358(2), b=3.5194(7), c=6.703(1) angstrom), was also synthetized. The electronic structures of Ta5Ni4P4 and TaNi2P were analyzed using the tight-binding linear muffin-tin orbital (TB-LMTO) and extended Huckel methods.
Ämnesord
- NATURVETENSKAP -- Kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences (hsv//eng)
Nyckelord
- Intermetallics
- Crystal structure
- Solid-state solution
- Phase equilibria
- X-ray diffraction
Publikations- och innehållstyp
- ref (ämneskategori)
- art (ämneskategori)
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