Abstract
The structure parameters of Li3N in the temperature range -120 to 20°C were refined both for neutral atoms (Li0 and N0) and for ions (Li+ and N3-). For N3- new scattering curves were used which were calculated by applying stabilizing Watson-sphere potentials for different radii. All structure parameters depend critically on the scattering curves used. However, only on the assumption of ions, and only for N3- scattering curves corresponding to a small range of Watson radii, were physically meaningful structure parameters and R values down to 0.9% obtained. These structure refinements demonstrate that Li3N can be considered as an ionic crystal in which the N3- ion, though unstable as a free ion, is stabilized by the surrounding Li+ ions.
Publisher
International Union of Crystallography (IUCr)
Cited by
85 articles.
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