Cs13Nb2(In3As5)2 crystallizes in the triclinic P-1 space group. There are seven inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to one In(2), one In(3), one As(1), one As(4), one As(5), and two equivalent As(3) atoms. In the second Cs site, Cs(2) is bonded in a 1-coordinate geometry to one Cs(5), one As(1), one As(4), and one As(5) atom. In the third Cs site, Cs(3) is bonded in a 7-coordinate geometry to one In(2), two equivalent In(1), one As(1), one As(4), and two equivalent As(3) atoms. In the fourth Cs site, Cs(4) is bonded in a 3-coordinate geometry to one As(1), one As(3), and two equivalent As(4) atoms. In the fifth Cs site, Cs(5) is bonded in a 14-coordinate geometry to two equivalent Cs(2), two equivalent Cs(6), two equivalent Nb(1), two equivalent In(3), two equivalent As(1), two equivalent As(2), and two equivalent As(5) atoms. In the sixth Cs site, Cs(6) is bonded in a 2-coordinate geometry to one Cs(5), one As(1), and two equivalent As(5) atoms. In the seventh Cs site, Cs(7) is bonded in a 5-coordinate geometry to one In(3), one As(2), one As(3), one As(4), and one As(5) atom. Nb(1) is bonded to one Cs(5), one As(1), one As(2), one As(3), and one As(5) atom to form corner-sharing NbCsAs4 tetrahedra. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 3-coordinate geometry to two equivalent Cs(3), one As(2), one As(3), and one As(4) atom. In the second In site, In(2) is bonded in a 3-coordinate geometry to one Cs(1), one Cs(3), one As(1), one As(3), and one As(4) atom. In the third In site, In(3) is bonded in a 3-coordinate geometry to one Cs(1), one Cs(5), one Cs(7), one As(1), one As(2), and one As(4) atom. There are five inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), one Cs(4), one Cs(5), one Cs(6), one Nb(1), one In(2), and one In(3) atom. In the second As site, As(2) is bonded in a 3-coordinate geometry to one Cs(5), one Cs(7), one Nb(1), one In(1), and one In(3) atom. In the third As site, As(3) is bonded in a 9-coordinate geometry to one Cs(4), one Cs(7), two equivalent Cs(1), two equivalent Cs(3), one Nb(1), one In(1), and one In(2) atom. In the fourth As site, As(4) is bonded in a 9-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), one Cs(7), two equivalent Cs(4), one In(1), one In(2), and one In(3) atom. In the fifth As site, As(5) is bonded in a 1-coordinate geometry to one Cs(1), one Cs(2), one Cs(5), one Cs(7), two equivalent Cs(6), and one Nb(1) atom.
Cs13Nb2(In3As5)2 crystallizes in the triclinic P-1 space group. There are seven inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 7-coordinate geometry to one In(2), one In(3), one As(1), one As(4), one As(5), and two equivalent As(3) atoms. The Cs(1)-In(2) bond length is 3.87 Å. The Cs(1)-In(3) bond length is 3.89 Å. The Cs(1)-As(1) bond length is 4.01 Å. The Cs(1)-As(4) bond length is 3.83 Å. The Cs(1)-As(5) bond length is 3.63 Å. There is one shorter (3.95 Å) and one longer (4.19 Å) Cs(1)-As(3) bond length. In the second Cs site, Cs(2) is bonded in a 1-coordinate geometry to one Cs(5), one As(1), one As(4), and one As(5) atom. The Cs(2)-Cs(5) bond length is 4.00 Å. The Cs(2)-As(1) bond length is 4.36 Å. The Cs(2)-As(4) bond length is 3.88 Å. The Cs(2)-As(5) bond length is 3.52 Å. In the third Cs site, Cs(3) is bonded in a 7-coordinate geometry to one In(2), two equivalent In(1), one As(1), one As(4), and two equivalent As(3) atoms. The Cs(3)-In(2) bond length is 3.81 Å. There is one shorter (3.91 Å) and one longer (4.16 Å) Cs(3)-In(1) bond length. The Cs(3)-As(1) bond length is 3.96 Å. The Cs(3)-As(4) bond length is 3.92 Å. There is one shorter (3.93 Å) and one longer (4.03 Å) Cs(3)-As(3) bond length. In the fourth Cs site, Cs(4) is bonded in a 3-coordinate geometry to one As(1), one As(3), and two equivalent As(4) atoms. The Cs(4)-As(1) bond length is 3.76 Å. The Cs(4)-As(3) bond length is 4.06 Å. There is one shorter (3.75 Å) and one longer (3.85 Å) Cs(4)-As(4) bond length. In the fifth Cs site, Cs(5) is bonded in a 14-coordinate geometry to two equivalent Cs(2), two equivalent Cs(6), two equivalent Nb(1), two equivalent In(3), two equivalent As(1), two equivalent As(2), and two equivalent As(5) atoms. Both Cs(5)-Cs(6) bond lengths are 4.09 Å. Both Cs(5)-Nb(1) bond lengths are 3.81 Å. Both Cs(5)-In(3) bond lengths are 3.82 Å. Both Cs(5)-As(1) bond lengths are 3.60 Å. Both Cs(5)-As(2) bond lengths are 3.80 Å. Both Cs(5)-As(5) bond lengths are 4.07 Å. In the sixth Cs site, Cs(6) is bonded in a 2-coordinate geometry to one Cs(5), one As(1), and two equivalent As(5) atoms. The Cs(6)-As(1) bond length is 4.14 Å. There is one shorter (3.65 Å) and one longer (3.66 Å) Cs(6)-As(5) bond length. In the seventh Cs site, Cs(7) is bonded in a 5-coordinate geometry to one In(3), one As(2), one As(3), one As(4), and one As(5) atom. The Cs(7)-In(3) bond length is 4.01 Å. The Cs(7)-As(2) bond length is 3.81 Å. The Cs(7)-As(3) bond length is 4.01 Å. The Cs(7)-As(4) bond length is 4.16 Å. The Cs(7)-As(5) bond length is 3.69 Å. Nb(1) is bonded to one Cs(5), one As(1), one As(2), one As(3), and one As(5) atom to form corner-sharing NbCsAs4 tetrahedra. The Nb(1)-As(1) bond length is 2.60 Å. The Nb(1)-As(2) bond length is 2.55 Å. The Nb(1)-As(3) bond length is 2.54 Å. The Nb(1)-As(5) bond length is 2.43 Å. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 3-coordinate geometry to two equivalent Cs(3), one As(2), one As(3), and one As(4) atom. The In(1)-As(2) bond length is 2.87 Å. The In(1)-As(3) bond length is 2.91 Å. The In(1)-As(4) bond length is 2.99 Å. In the second In site, In(2) is bonded in a 3-coordinate geometry to one Cs(1), one Cs(3), one As(1), one As(3), and one As(4) atom. The In(2)-As(1) bond length is 2.81 Å. The In(2)-As(3) bond length is 2.84 Å. The In(2)-As(4) bond length is 2.82 Å. In the third In site, In(3) is bonded in a 3-coordinate geometry to one Cs(1), one Cs(5), one Cs(7), one As(1), one As(2), and one As(4) atom. The In(3)-As(1) bond length is 2.91 Å. The In(3)-As(2) bond length is 2.90 Å. The In(3)-As(4) bond length is 2.92 Å. There are five inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), one Cs(4), one Cs(5), one Cs(6), one Nb(1), one In(2), and one In(3) atom. In the second As site, As(2) is bonded in a 3-coordinate geometry to one Cs(5), one Cs(7), one Nb(1), one In(1), and one In(3) atom. In the third As site, As(3) is bonded in a 9-coordinate geometry to one Cs(4), one Cs(7), two equivalent Cs(1), two equivalent Cs(3), one Nb(1), one In(1), and one In(2) atom. In the fourth As site, As(4) is bonded in a 9-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), one Cs(7), two equivalent Cs(4), one In(1), one In(2), and one In(3) atom. In the fifth As site, As(5) is bonded in a 1-coordinate geometry to one Cs(1), one Cs(2), one Cs(5), one Cs(7), two equivalent Cs(6), and one Nb(1) atom.