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Volumn 82, Issue 2, 2010, Pages

Electronic and structural properties of Laves-phase MgZn2 of varying chemical disorder

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EID: 77956545170     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.82.024202     Document Type: Article
Times cited : (12)

References (28)
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    • Such short Mg-Zn bonds exist in the orthorhombic Mg51 Zn20 compound (in our VASP calculation, not described here, we used the nearly isostructural but ordered Ag7 Mg51 -type structure). Indeed, a simple explanation why the Mg-Zn bonds do not get shorter in the 16 coordinated stoichiometric environment might be that the constraints between the 16 atoms (12 of them Zn) forming the shell prevent them from getting closer to the central Mg atom
    • Such short Mg-Zn bonds exist in the orthorhombic Mg 51 Zn 20 compound (in our VASP calculation, not described here, we used the nearly isostructural but ordered Ag 7 Mg 51 -type structure). Indeed, a simple explanation why the Mg-Zn bonds do not get shorter in the 16 coordinated stoichiometric environment might be that the constraints between the 16 atoms (12 of them Zn) forming the shell prevent them from getting closer to the central Mg atom.


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