Ba2(InAs)5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to two equivalent As(2), two equivalent As(4), and three equivalent As(5) atoms. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one As(2), one As(4), two equivalent As(3), and three equivalent As(1) atoms. There are five inequivalent In sites. In the first In site, In(1) is bonded to one As(4), one As(5), and two equivalent As(3) atoms to form InAs4 tetrahedra that share corners with two equivalent In(1)As4 tetrahedra, corners with two equivalent In(2)InAs3 tetrahedra, and corners with two equivalent In(3)InAs3 tetrahedra. In the second In site, In(2) is bonded to one In(4), one As(2), and two equivalent As(5) atoms to form distorted InInAs3 tetrahedra that share  a cornercorner with one As(3)Ba2In4 octahedra, corners with two equivalent As(1)Ba3In3 octahedra, corners with two equivalent In(1)As4 tetrahedra, and corners with two equivalent In(2)InAs3 tetrahedra. The corner-sharing octahedral tilt angles range from 58-88°. In the third In site, In(3) is bonded to one In(5), one As(1), and two equivalent As(4) atoms to form distorted InInAs3 tetrahedra that share  a cornercorner with one As(3)Ba2In4 octahedra, corners with two equivalent As(2)Ba3In3 octahedra, corners with two equivalent In(1)As4 tetrahedra, and corners with two equivalent In(3)InAs3 tetrahedra. The corner-sharing octahedral tilt angles range from 60-81°. In the fourth In site, In(4) is bonded in a 4-coordinate geometry to one In(2), one As(3), and two equivalent As(1) atoms. In the fifth In site, In(5) is bonded in a 4-coordinate geometry to one In(3), one As(3), and two equivalent As(2) atoms. There are five inequivalent As sites. In the first As site, As(4) is bonded to one Ba(2), two equivalent Ba(1), one In(1), and two equivalent In(3) atoms to form AsBa3In3 octahedra that share  a cornercorner with one As(1)Ba3In3 octahedra, corners with two equivalent As(2)Ba3In3 octahedra, corners with four equivalent As(3)Ba2In4 octahedra, corners with four equivalent As(5)Ba3In3 octahedra, edges with two equivalent As(1)Ba3In3 octahedra, edges with two equivalent As(4)Ba3In3 octahedra,  a faceface with one As(2)Ba3In3 octahedra, and  a faceface with one As(5)Ba3In3 octahedra. The corner-sharing octahedral tilt angles range from 36-65°. In the second As site, As(5) is bonded to three equivalent Ba(1), one In(1), and two equivalent In(2) atoms to form AsBa3In3 octahedra that share corners with two equivalent As(3)Ba2In4 octahedra, corners with two equivalent As(2)Ba3In3 octahedra, corners with four equivalent As(4)Ba3In3 octahedra, edges with three equivalent As(2)Ba3In3 octahedra, edges with four equivalent As(5)Ba3In3 octahedra, and  a faceface with one As(4)Ba3In3 octahedra. The corner-sharing octahedral tilt angles range from 15-68°. In the third As site, As(1) is bonded to three equivalent Ba(2), one In(3), and two equivalent In(4) atoms to form AsBa3In3 octahedra that share  a cornercorner with one As(4)Ba3In3 octahedra, corners with two equivalent As(3)Ba2In4 octahedra, corners with three equivalent As(2)Ba3In3 octahedra, corners with two equivalent In(2)InAs3 tetrahedra, edges with two equivalent As(4)Ba3In3 octahedra, edges with three equivalent As(3)Ba2In4 octahedra, and edges with four equivalent As(1)Ba3In3 octahedra. The corner-sharing octahedral tilt angles range from 25-54°. In the fourth As site, As(2) is bonded to one Ba(2), two equivalent Ba(1), one In(2), and two equivalent In(5) atoms to form AsBa3In3 octahedra that share corners with two equivalent As(4)Ba3In3 octahedra, corners with two equivalent As(5)Ba3In3 octahedra, corners with three equivalent As(1)Ba3In3 octahedra, corners with two equivalent In(3)InAs3 tetrahedra, edges with two equivalent As(3)Ba2In4 octahedra, edges with two equivalent As(2)Ba3In3 octahedra, edges with three equivalent As(5)Ba3In3 octahedra, and  a faceface with one As(4)Ba3In3 octahedra. The corner-sharing octahedral tilt angles range from 15-61°. In the fifth As site, As(3) is bonded to two equivalent Ba(2), one In(4), one In(5), and two equivalent In(1) atoms to form AsBa2In4 octahedra that share corners with two equivalent As(1)Ba3In3 octahedra, corners with two equivalent As(5)Ba3In3 octahedra, corners with four equivalent As(4)Ba3In3 octahedra,  a cornercorner with one In(2)InAs3 tetrahedra,  a cornercorner with one In(3)InAs3 tetrahedra, edges with two equivalent As(3)Ba2In4 octahedra, edges with two equivalent As(2)Ba3In3 octahedra, and edges with three equivalent As(1)Ba3In3 octahedra. The corner-sharing octahedral tilt angles range from 25-68°.
Ba2(InAs)5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 7-coordinate geometry to two equivalent As(2), two equivalent As(4), and three equivalent As(5) atoms. Both Ba(1)-As(2) bond lengths are 3.35 Å. Both Ba(1)-As(4) bond lengths are 3.38 Å. There are two shorter (3.39 Å) and one longer (3.41 Å) Ba(1)-As(5) bond length. In the second Ba site, Ba(2) is bonded in a 7-coordinate geometry to one As(2), one As(4), two equivalent As(3), and three equivalent As(1) atoms. The Ba(2)-As(2) bond length is 3.44 Å. The Ba(2)-As(4) bond length is 3.60 Å. Both Ba(2)-As(3) bond lengths are 3.49 Å. There are two shorter (3.38 Å) and one longer (3.50 Å) Ba(2)-As(1) bond length. There are five inequivalent In sites. In the first In site, In(1) is bonded to one As(4), one As(5), and two equivalent As(3) atoms to form InAs4 tetrahedra that share corners with two equivalent In(1)As4 tetrahedra, corners with two equivalent In(2)InAs3 tetrahedra, and corners with two equivalent In(3)InAs3 tetrahedra. The In(1)-As(4) bond length is 2.70 Å. The In(1)-As(5) bond length is 2.69 Å. Both In(1)-As(3) bond lengths are 2.72 Å. In the second In site, In(2) is bonded to one In(4), one As(2), and two equivalent As(5) atoms to form distorted InInAs3 tetrahedra that share  a cornercorner with one As(3)Ba2In4 octahedra, corners with two equivalent As(1)Ba3In3 octahedra, corners with two equivalent In(1)As4 tetrahedra, and corners with two equivalent In(2)InAs3 tetrahedra. The corner-sharing octahedral tilt angles range from 58-88°. The In(2)-In(4) bond length is 2.81 Å. The In(2)-As(2) bond length is 2.69 Å. Both In(2)-As(5) bond lengths are 2.71 Å. In the third In site, In(3) is bonded to one In(5), one As(1), and two equivalent As(4) atoms to form distorted InInAs3 tetrahedra that share  a cornercorner with one As(3)Ba2In4 octahedra, corners with two equivalent As(2)Ba3In3 octahedra, corners with two equivalent In(1)As4 tetrahedra, and corners with two equivalent In(3)InAs3 tetrahedra. The corner-sharing octahedral tilt angles range from 60-81°. The In(3)-In(5) bond length is 2.78 Å. The In(3)-As(1) bond length is 2.72 Å. Both In(3)-As(4) bond lengths are 2.71 Å. In the fourth In site, In(4) is bonded in a 4-coordinate geometry to one In(2), one As(3), and two equivalent As(1) atoms. The In(4)-As(3) bond length is 2.82 Å. Both In(4)-As(1) bond lengths are 2.72 Å. In the fifth In site, In(5) is bonded in a 4-coordinate geometry to one In(3), one As(3), and two equivalent As(2) atoms. The In(5)-As(3) bond length is 2.78 Å. Both In(5)-As(2) bond lengths are 2.68 Å. There are five inequivalent As sites. In the first As site, As(4) is bonded to one Ba(2), two equivalent Ba(1), one In(1), and two equivalent In(3) atoms to form AsBa3In3 octahedra that share  a cornercorner with one As(1)Ba3In3 octahedra, corners with two equivalent As(2)Ba3In3 octahedra, corners with four equivalent As(3)Ba2In4 octahedra, corners with four equivalent As(5)Ba3In3 octahedra, edges with two equivalent As(1)Ba3In3 octahedra, edges with two equivalent As(4)Ba3In3 octahedra,  a faceface with one As(2)Ba3In3 octahedra, and  a faceface with one As(5)Ba3In3 octahedra. The corner-sharing octahedral tilt angles range from 36-65°. In the second As site, As(5) is bonded to three equivalent Ba(1), one In(1), and two equivalent In(2) atoms to form AsBa3In3 octahedra that share corners with two equivalent As(3)Ba2In4 octahedra, corners with two equivalent As(2)Ba3In3 octahedra, corners with four equivalent As(4)Ba3In3 octahedra, edges with three equivalent As(2)Ba3In3 octahedra, edges with four equivalent As(5)Ba3In3 octahedra, and  a faceface with one As(4)Ba3In3 octahedra. The corner-sharing octahedral tilt angles range from 15-68°. In the third As site, As(1) is bonded to three equivalent Ba(2), one In(3), and two equivalent In(4) atoms to form AsBa3In3 octahedra that share  a cornercorner with one As(4)Ba3In3 octahedra, corners with two equivalent As(3)Ba2In4 octahedra, corners with three equivalent As(2)Ba3In3 octahedra, corners with two equivalent In(2)InAs3 tetrahedra, edges with two equivalent As(4)Ba3In3 octahedra, edges with three equivalent As(3)Ba2In4 octahedra, and edges with four equivalent As(1)Ba3In3 octahedra. The corner-sharing octahedral tilt angles range from 25-54°. In the fourth As site, As(2) is bonded to one Ba(2), two equivalent Ba(1), one In(2), and two equivalent In(5) atoms to form AsBa3In3 octahedra that share corners with two equivalent As(4)Ba3In3 octahedra, corners with two equivalent As(5)Ba3In3 octahedra, corners with three equivalent As(1)Ba3In3 octahedra, corners with two equivalent In(3)InAs3 tetrahedra, edges with two equivalent As(3)Ba2In4 octahedra, edges with two equivalent As(2)Ba3In3 octahedra, edges with three equivalent As(5)Ba3In3 octahedra, and  a faceface with one As(4)Ba3In3 octahedra. The corner-sharing octahedral tilt angles range from 15-61°. In the fifth As site, As(3) is bonded to two equivalent Ba(2), one In(4), one In(5), and two equivalent In(1) atoms to form AsBa2In4 octahedra that share corners with two equivalent As(1)Ba3In3 octahedra, corners with two equivalent As(5)Ba3In3 octahedra, corners with four equivalent As(4)Ba3In3 octahedra,  a cornercorner with one In(2)InAs3 tetrahedra,  a cornercorner with one In(3)InAs3 tetrahedra, edges with two equivalent As(3)Ba2In4 octahedra, edges with two equivalent As(2)Ba3In3 octahedra, and edges with three equivalent As(1)Ba3In3 octahedra. The corner-sharing octahedral tilt angles range from 25-68°.