Revised Crystal Structure Model of Li_2NH by Neutron Powder Diffraction(Cross-disciplinary Physics and Related Areas of Science and Technology)

概要

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We performed neutron powder diffraction experiments on lithium imide Li_2NH, and have proposed a revised crystal structure model. Li_2NH has a face-centred cubic structure with a partially occupied hydrogen site. Of the possible crystal structure models that represent the obtained data, the model with F43m symmetry having hydrogen atoms at the 16e site, in which only one hydrogen atom randomly occupies one of the four hydrogen positions around a nitrogen atom, is most probable. For this model, the distance between the nearest nitrogen and hydrogen atoms is 0.82(6) Å, and the angle between H-N-H is 109.5, which are close to those of the lithium amide LiNH_2, indicating that the structural circumstances around nitrogen and hydrogen are similar in Li_2NH and LiNH_2.
社団法人日本物理学会の論文
2005-01-15