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We performed neutron powder diffraction experiments on lithium imide Li2NH,and have proposed a revised crystal structure model. Li2NH has a face-centeredcubic structure with a partially occupied hydrogen site. Of the possiblecrystal structure models that represent the obtained data, the model with F-43msymmetry having hydrogen atoms at the 16e site, in which only one hydrogen atomrandomly occupies one of the four hydrogen positions around a nitrogen atom, ismost probable. For this model, the distance between the nearest nitrogen andhydrogen atoms is 0.82(6)A, and the angle between H-N-H is 109.5deg., which areclose to those of the lithium amide LiNH2, indicating that the structuralcircumstances around nitrogen and hydrogen are similar in Li2NH and LiNH2.Comment: 6 pages 5figures 1 Table submitted to PR

Revised Crystal Structure Model of Li2NH by Neutron Powder Diffraction

Revised Crystal Structure Model of Li₂NH by Neutron Powder Diffraction