Variable temperature neutron diffraction studies of single crystals of LiND 2

Abstract

We have synthesized a single crystal of lithium amide (LiNH 2, LiND 2) by melting method, and performed neutron diffraction of the single crystal at variable temperature. LiND 2 is tetragonal structure and I–4 space group. Lattice parameters and unit cell volume of LiND 2 at room temperature, 50 °C, 100 °C, 150 °C and 200 °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 α V of LiND 2 to be 222 × 10 −6/K. With increase of temperature, all thermal ellipsoids gradually expand because of thermal vibration.