The crystal structure of α-MgD2 under high pressure by neutron powder diffraction
作者： Holger Kohlmann , Yusheng Zhao , Malcolm F. Nicol , Jason McClure
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摘要: The crystal structure of rutile-type magnesium deuteride, α-MgD 2 , has been studied by in situ neutron powder diffraction at room temperature and pressures up to 9.3 GPa. bulk modulus B 0 = 49(2) GPa is about half, the linear compressibilities (0.0063/GPa along a 0.0041/GPa c) are twice variation free positional parameter x six times values for isostructural fluoride, indicating strong polarizability deuteride anion. Under pressure MgD 6 octahedra more compressed (four Mg-D distances 199(1), two 173(1) pm) than ambient (195.1(1), 194.8(2) structural arrangement becomes CaCl like, although no phase transition observed.
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