Materials Data on SmGaSi by Materials Project

Abstract

SmGaSi crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Sm2+ is bonded to six equivalent Si4- atoms to form a mixture of distorted edge, face, and corner-sharing SmSi6 pentagonal pyramids. There are two shorter (3.17 Å) and four longer (3.18 Å) Sm–Si bond lengths. Ga2+ is bonded in a trigonal planar geometry to three Si4- atoms. There are one shorter (2.38 Å) and two longer (2.40 Å) Ga–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 3-coordinate geometry to six equivalent Sm2+ and three equivalent Ga2+ atoms. In the second Si4- site, Si4- is bonded in a 3-coordinate geometry to six equivalent Sm2+ and three equivalent Ga2+ atoms. There are two shorter (3.17 Å) and four longer (3.18 Å) Si–Sm bond lengths.