Materials Data on Sm2AlAg3 by Materials Project

Abstract

Sm2Ag3Al crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to nine Ag and three equivalent Al atoms. There are a spread of Sm–Ag bond distances ranging from 3.09–3.44 Å. There are one shorter (3.24 Å) and two longer (3.38 Å) Sm–Al bond lengths. In the second Sm site, Sm is bonded in a 12-coordinate geometry to nine Ag and three equivalent Al atoms. There are a spread of Sm–Ag bond distances ranging from 3.16–3.45 Å. All Sm–Al bond lengths are 3.26 Å. There are three inequivalent Ag sites. In the first Ag site, Ag is bonded in a 1-coordinate geometry to six Sm, three Ag, and one Al atom. There are two shorter (2.80 Å) and one longer (3.00 Å) Ag–Ag bond lengths. The Ag–Al bond length is 2.67 Å. In the second Ag site, Ag is bonded in a 10-coordinate geometry to six Sm, two Ag, and two equivalent Al atoms. The Ag–Ag bond length is 2.84 Å. Both Ag–Al bond lengths are 2.65 Å. In the third Ag site, Ag is bonded in a 10-coordinate geometry to six Sm, three Ag, and one Al atom. The Ag–Al bond length is 2.83 Å. Al is bonded in a 4-coordinate geometry to six Sm and four Ag atoms.