Materials Data on SmMnSi2 by Materials Project

Abstract

SmMnSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to four equivalent Mn and ten Si atoms. There are two shorter (3.27 Å) and two longer (3.28 Å) Sm–Mn bond lengths. There are a spread of Sm–Si bond distances ranging from 3.04–3.12 Å. Mn is bonded to four equivalent Sm and four equivalent Si atoms to form a mixture of edge and face-sharing MnSm4Si4 tetrahedra. There are two shorter (2.36 Å) and two longer (2.38 Å) Mn–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to four equivalent Sm, four equivalent Mn, and one Si atom. The Si–Si bond length is 2.45 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six equivalent Sm and three Si atoms. Both Si–Si bond lengths are 2.35 Å.