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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sm(AgGe)2 by Materials Project

SmAg2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to eight equivalent Ag and eight equivalent Ge atoms. All Sm–Ag bond lengths are 3.52 Å. All Sm–Ge bond lengths are 3.27 Å. Ag is bonded to four equivalent Sm, four equivalent Ag, and four equivalent Ge atoms to form a mixture of distorted face, edge, and corner-sharing AgSm4Ag4Ge4 cuboctahedra. All Ag–Ag bond lengths are 3.04 Å. All Ag–Ge bond lengths are 2.66 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Sm, four equivalent Ag, and one Ge atom. The Ge–Ge bond length is 2.44 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmAgGe by Materials Project

SmAgGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to six equivalent Ag and five Ge atoms. There are two shorter (3.27 Å) and four longer (3.38 Å) Sm–Ag bond lengths. There are one shorter (2.99 Å) and four longer (3.08 Å) Sm–Ge bond lengths. Ag is bonded in a 12-coordinate geometry to six equivalent Sm, two equivalent Ag, and four Ge atoms. Both Ag–Ag bond lengths are 3.17 Å. There are two shorter (2.77 Å) and two longer (2.82 Å) Ag–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent Ag atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Ag atoms.

36 MATERIALS SCIENCE↗