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- W2953280139 abstract "The novel intermetallic compound WAl{sub 2} crystallizes with space group P6{sub 4}22 and lattice parameters a=4.7422(1) A, c=6.6057(2) A. The crystal structure was solved from single-crystal X-ray diffraction data. WAl{sub 2} was found to be the first aluminide that is isotypic with CrSi{sub 2}. A high-pressure powder X-ray diffraction study showed its stability up to at least 31.5(1) GPa. The bulk modulus was calculated by fitting a third-order Birch-Murnaghan equation of state to the pressure-volume data as K{sub 0}=168(11) GPa and its pressure derivative K'=7.7(1.0). Partially covalent bonding between W and Al atoms was indicated by means of the electron localization function (ELF) and explains the anisotropic compression behavior. Quantum chemical calculations identify WAl{sub 2} as a potential high-temperature phase. - Graphical abstract: The novel compound WAl{sub 2} is the first aluminide crystallizing with the CrSi{sub 2} structure type. This compound is stable up to high pressures of at least 31.5 GPa. The chemical bonding analysis by means of the electron localization function (ELF) reveals a partially covalent bonding being responsible for the anisotropic compression behavior." @default.
- W2953280139 created "2019-06-27" @default.
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- W2953280139 date "2009-02-03" @default.
- W2953280139 modified "2023-09-25" @default.
- W2953280139 title "ChemInform Abstract: Crystal Structure and High-Pressure Studies of WAl2, an Aluminide Crystallizing with the CrSi2Structure Type." @default.
- W2953280139 cites W2083792138 @default.
- W2953280139 doi "https://doi.org/10.1002/chin.200905022" @default.
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