Revised Crystal Structure Model of Li2NH by Neutron Powder Diffraction
Abstract
We performed neutron powder diffraction experiments on lithium imide Li2NH, and have proposed a revised crystal structure model. Li2NH 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 F\bar{4}3m 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) {\AA}, and the angle between H--N--H is 109.5°, 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.
- Publication:
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Journal of the Physical Society of Japan
- Pub Date:
- January 2005
- DOI:
- 10.1143/JPSJ.74.483
- arXiv:
- arXiv:cond-mat/0406025
- Bibcode:
- 2005JPSJ...74..483O
- Keywords:
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- Materials Science
- E-Print:
- 6 pages 5figures 1 Table submitted to PRB