Variable temperature neutron diffraction studies of single crystals of LiND2

We have synthesized a single crystal of lithium amide (LiNH2, LiND2) by melting method, and performed neutron diffraction of the single crystal at variable temperature. LiND2 is tetragonal structure and I-4 space group. Lattice parameters and unit cell volume of LiND2 at room temperature, 50 degrees C, 100 degrees C, 150 degrees C and 200 degrees C were determined. Both of the lattice parameters and the unit cell volume increase with increase of temperature. From these results, we have estimated coefficient of volumetric thermal expansion alpha(v) of LiND2 to be 222 x 10(-6)/K. With increase of temperature, all thermal ellipsoids gradually expand because of thermal vibration. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.