Structure and mechanical properties of tantalum mononitride under high pressure: A first-principles study J. Appl. Phys. 112, 083519 (2012) Effect of spin-orbit coupling on the actinide dioxides AnO2 (An=Th, Pa, U, Np, Pu, and Am): A screened hybrid density functional study J. Chem. Phys. 137, 154707 (2012) Sb concentration dependent structural and resistive properties of polycrystalline Bi-Sb alloys J. Appl. Phys. 112, 083706 (2012) Crystal structure of 0.96(Na0.5Bi0.5TiO3)-0.04(BaTiO3) from combined refinement of x-ray and neutron diffraction patterns Appl. Phys. Lett. 101, 152906 (2012) Thermoelectric properties of n-type Mn3−xCrxSi4Al2 in airThe crystal structure of a-Si0 2 (low quartz) has been refined at 296, 78, and 13 K from time-offlight neutron powder diffraction data. The major effect of temperature from 296 to 78 K is a nearly rigid body rotation of the Si0 4 tetrahedra. Below 78 K, tetrahedral rotation is substantially reduced giving rise to a much smaller thermal expansion. A comparison of the volume dependence of the Si-O-Si angle, the rotation angle for Si0 4 tetrahedra and the cia ratio suggests that the mechanism for expansion may be changing from tetrahedral rotation to tetrahedral distortion at the lowest temperatures. The inverse linear relation between the mean Si-O bond distance and -sec(Si-O-Si) which has been observed for silica minerals at both ambient and hightemperature conditions appears to be consistent with the structural variations that occur at low temperatures.
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