Materials Data on Ca2GaAg by Materials Project

Abstract

Ca2AgGa crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 7-coordinate geometry to three equivalent Ag and four equivalent Ga atoms. There are two shorter (3.18 Å) and one longer (3.35 Å) Ca–Ag bond lengths. All Ca–Ga bond lengths are 3.19 Å. In the second Ca site, Ca is bonded in a 7-coordinate geometry to four equivalent Ag and three equivalent Ga atoms. All Ca–Ag bond lengths are 3.20 Å. There are two shorter (3.22 Å) and one longer (3.30 Å) Ca–Ga bond lengths. Ag is bonded in a 9-coordinate geometry to seven Ca and two equivalent Ga atoms. Both Ag–Ga bond lengths are 2.76 Å. Ga is bonded in a 9-coordinate geometry to seven Ca and two equivalent Ag atoms.