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DOE OSTI2020

Materials Data on MgAgSb by Materials Project

MgAgSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg2+ is bonded in a 10-coordinate geometry to four equivalent Ag1+ and six equivalent Sb3- atoms. All Mg–Ag bond lengths are 2.84 Å. All Mg–Sb bond lengths are 3.28 Å. Ag1+ is bonded in a body-centered cubic geometry to four equivalent Mg2+ and four equivalent Sb3- atoms. All Ag–Sb bond lengths are 2.84 Å. Sb3- is bonded in a distorted q6 geometry to six equivalent Mg2+ and four equivalent Ag1+ atoms.

36 MATERIALS SCIENCE↗

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↗