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AgMg is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Mg–Ag bond lengths are 2.89 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
Nanostructuring, structure distortion and/or disorder are the main manipulation techniques to reduce the lattice thermal conductivity and improve the figure of merit of thermoelectric materials. A single-phase α-MgAgSb sample, MgAg 0.97 Sb 0.99 , with high thermoelectric performance in near room temperature region was synthesized through a high-energy ball milling with a hot-pressing method. In this work, we report the average grain size of 24-28 nm and the accurate structure distortion, which are characterized by high-resolution neutron diffraction and synchrotron X-ray diffraction with Rietveld refinement data analysis. Both the small grain size and the structure distortion have a contribution to the low lattice thermal conductivity in MgAg 0.97 Sb 0.99 .