Ca(GaAs)2 crystallizes in the trigonal R-3m space group. Ca(1) is bonded to six equivalent As(1) atoms to form CaAs6 octahedra that share corners with six equivalent Ga(1)GaAs3 tetrahedra, edges with six equivalent Ca(1)As6 octahedra, and edges with six equivalent Ga(1)GaAs3 tetrahedra. Ga(1) is bonded to one Ga(1) and three equivalent As(1) atoms to form distorted GaGaAs3 tetrahedra that share corners with three equivalent Ca(1)As6 octahedra, corners with three equivalent As(1)Ca3Ga3 octahedra, corners with six equivalent Ga(1)GaAs3 tetrahedra, and edges with three equivalent Ca(1)As6 octahedra. The corner-sharing octahedral tilt angles range from 16-66°. As(1) is bonded to three equivalent Ca(1) and three equivalent Ga(1) atoms to form AsCa3Ga3 octahedra that share corners with three equivalent As(1)Ca3Ga3 octahedra, corners with three equivalent Ga(1)GaAs3 tetrahedra, and edges with nine equivalent As(1)Ca3Ga3 octahedra. The corner-sharing octahedra are not tilted.
Ca(GaAs)2 crystallizes in the trigonal R-3m space group. Ca(1) is bonded to six equivalent As(1) atoms to form CaAs6 octahedra that share corners with six equivalent Ga(1)GaAs3 tetrahedra, edges with six equivalent Ca(1)As6 octahedra, and edges with six equivalent Ga(1)GaAs3 tetrahedra. All Ca(1)-As(1) bond lengths are 3.00 Å. Ga(1) is bonded to one Ga(1) and three equivalent As(1) atoms to form distorted GaGaAs3 tetrahedra that share corners with three equivalent Ca(1)As6 octahedra, corners with three equivalent As(1)Ca3Ga3 octahedra, corners with six equivalent Ga(1)GaAs3 tetrahedra, and edges with three equivalent Ca(1)As6 octahedra. The corner-sharing octahedral tilt angles range from 16-66°. The Ga(1)-Ga(1) bond length is 2.43 Å. All Ga(1)-As(1) bond lengths are 2.52 Å. As(1) is bonded to three equivalent Ca(1) and three equivalent Ga(1) atoms to form AsCa3Ga3 octahedra that share corners with three equivalent As(1)Ca3Ga3 octahedra, corners with three equivalent Ga(1)GaAs3 tetrahedra, and edges with nine equivalent As(1)Ca3Ga3 octahedra. The corner-sharing octahedra are not tilted.