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- W2029475225 abstract "Powder neutron diffraction studies reveal that the low-temperature structure of SF6 is monoclinic, space group C2/m, Z = 6. The packing of the SF6 molecules is based on the UCl6-type structure with a distortion parallel to the trigonal 〈1[unk]0〉 direction. TLS tensors and symmetry-adapted spherical-harmonic functions are used to analyse the evolution of the thermal motion and eventual orientational disorder of the fluorine atoms with increasing temperature. The refinements illustrate the use of constraint functions in Rietveld refinement. The ability of MD simulations to predict the correct crystallographic structure of the low-temperature phase of SF6 is also discussed." @default.
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- W2029475225 date "1988-01-01" @default.
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- W2029475225 title "The solid phases of sulphur hexafluoride by powder neutron diffraction" @default.
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- W2029475225 doi "https://doi.org/10.1524/zkri.1988.184.1-2.123" @default.
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