Ba(MgAs)2 crystallizes in the trigonal P-3m1 space group. Ba(1) is bonded to six equivalent As(1) atoms to form BaAs6 octahedra that share corners with twelve equivalent Mg(1)As4 tetrahedra, edges with six equivalent Ba(1)As6 octahedra, and edges with six equivalent Mg(1)As4 tetrahedra. Mg(1) is bonded to four equivalent As(1) atoms to form MgAs4 tetrahedra that share corners with six equivalent Ba(1)As6 octahedra, corners with six equivalent Mg(1)As4 tetrahedra, edges with three equivalent Ba(1)As6 octahedra, and edges with three equivalent Mg(1)As4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-50°. As(1) is bonded in a 7-coordinate geometry to three equivalent Ba(1) and four equivalent Mg(1) atoms.
Ba(MgAs)2 crystallizes in the trigonal P-3m1 space group. Ba(1) is bonded to six equivalent As(1) atoms to form BaAs6 octahedra that share corners with twelve equivalent Mg(1)As4 tetrahedra, edges with six equivalent Ba(1)As6 octahedra, and edges with six equivalent Mg(1)As4 tetrahedra. All Ba(1)-As(1) bond lengths are 3.36 Å. Mg(1) is bonded to four equivalent As(1) atoms to form MgAs4 tetrahedra that share corners with six equivalent Ba(1)As6 octahedra, corners with six equivalent Mg(1)As4 tetrahedra, edges with three equivalent Ba(1)As6 octahedra, and edges with three equivalent Mg(1)As4 tetrahedra. The corner-sharing octahedral tilt angles range from 23-50°. There is one shorter (2.70 Å) and three longer (2.71 Å) Mg(1)-As(1) bond lengths. As(1) is bonded in a 7-coordinate geometry to three equivalent Ba(1) and four equivalent Mg(1) atoms.