Materials Data on LaGaSb2 by Materials Project

Abstract

LaGaSb2 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are four shorter (3.32 Å) and four longer (3.41 Å) La–Sb bond lengths. Ga3+ is bonded in a bent 120 degrees geometry to two equivalent Sb3- atoms. Both Ga–Sb bond lengths are 2.79 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded to four equivalent La3+ and two equivalent Ga3+ atoms to form a mixture of distorted corner and edge-sharing SbLa4Ga2 pentagonal pyramids. In the second Sb3- site, Sb3- is bonded in a 8-coordinate geometry to four equivalent La3+ and four equivalent Sb3- atoms. All Sb–Sb bond lengths are 3.12 Å.