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Revised crystal structure model of Li2NH by neutron powder diffraction

K. Ohoyama·Y. Nakamori·S. Orimo·K. Yamada
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Abstract

We performed neutron powder diffraction experiments on lithium imide Li2NH, and have proposed a revised crystal structure model. Li2NH has a face-centered cubic structure with a partially occupied hydrogen site. Of the possible crystal structure models that represent the obtained data, the model with F-43m 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)A, and the angle between H-N-H is 109.5deg., which are close to those of the lithium amide LiNH2, indicating that the structural circumstances around nitrogen and hydrogen are similar in Li2NH and LiNH2.

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K. Ohoyama, Y. Nakamori, S. Orimo, K. Yamada. 2004-06-01. Revised crystal structure model of Li2NH by neutron powder diffraction. https://doi.org/10.1143/jpsj.74.483

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