The crystal structure of α-MgD2 under high pressure by neutron powder diffraction
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Holger Kohlmann
Abstract
The crystal structure of rutile-type magnesium deuteride, α-MgD2, has been studied by in situ neutron powder diffraction at room temperature and pressures up to 9.3 GPa. The bulk modulus B0 = 49(2) GPa is about half, the linear compressibilities (0.0063/GPa along a and 0.0041/GPa along c) are about twice and the variation of the free positional parameter x about six times the values for the isostructural magnesium fluoride, indicating the strong polarizability of the deuteride anion. Under pressure the MgD6 octahedra are more compressed (four Mg–D distances at 199(1), two at 173(1) pm) than at ambient pressure (195.1(1), 194.8(2) pm) and the structural arrangement becomes more CaCl2 like, although no structural phase transition has been observed.
© by Oldenbourg Wissenschaftsverlag, Saarbrücken, Germany
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- Editorial: Hydrogen Storage Materials
- Solving crystal structures of metal and chemical hydrides
- Pair Distribution Functions and Reverse Monte Carlo modelling of disordered metal hydrides
- Coexistence of hydrogen and polyanions in multinary main group element hydrides
- Structures of aluminium-based light weight hydrides
- Light metal borohydrides: crystal structures and beyond
- The structural properties of amides and imides as hydrogen storage materials
- Structural transitions induced by hydrogen absorption in metallic hydrides
- Crystal chemistry and metal-hydrogen bonding in anisotropic and interstitial hydrides of intermetallics of rare earth (R) and transition metals (T), RT3 and R2T7
- Hydrogen induced site depopulation in the LaMgNi4-hydrogen system
- The nature of deuterium arrangements in YD3 and other rare-earth trideuterides
- The crystal structure of α-MgD2 under high pressure by neutron powder diffraction
Articles in the same Issue
- Editorial: Hydrogen Storage Materials
- Solving crystal structures of metal and chemical hydrides
- Pair Distribution Functions and Reverse Monte Carlo modelling of disordered metal hydrides
- Coexistence of hydrogen and polyanions in multinary main group element hydrides
- Structures of aluminium-based light weight hydrides
- Light metal borohydrides: crystal structures and beyond
- The structural properties of amides and imides as hydrogen storage materials
- Structural transitions induced by hydrogen absorption in metallic hydrides
- Crystal chemistry and metal-hydrogen bonding in anisotropic and interstitial hydrides of intermetallics of rare earth (R) and transition metals (T), RT3 and R2T7
- Hydrogen induced site depopulation in the LaMgNi4-hydrogen system
- The nature of deuterium arrangements in YD3 and other rare-earth trideuterides
- The crystal structure of α-MgD2 under high pressure by neutron powder diffraction
