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DOE OSTI2020

Materials Data on MgAgSb by Materials Project

MgAgSb is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Mg2+ is bonded to five equivalent Sb3- atoms to form a mixture of corner and edge-sharing MgSb5 square pyramids. There are one shorter (2.89 Å) and four longer (3.15 Å) Mg–Sb bond lengths. Ag1+ is bonded in a 4-coordinate geometry to four equivalent Sb3- atoms. All Ag–Sb bond lengths are 2.95 Å. Sb3- is bonded in a 9-coordinate geometry to five equivalent Mg2+ and four equivalent Ag1+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Grain size and structure distortion characterization of α-MgAgSb thermoelectric material by powder diffraction

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 .

36 MATERIALS SCIENCE↗