Rb5Ta(TlAs2)2 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to one Tl(1), one Tl(2), one As(3), and four equivalent As(1) atoms. In the second Rb site, Rb(2) is bonded in a 5-coordinate geometry to two equivalent Tl(2), one As(1), one As(2), and one As(3) atom. In the third Rb site, Rb(3) is bonded in a 7-coordinate geometry to two equivalent Tl(1), one As(3), two equivalent As(1), and two equivalent As(2) atoms. Ta(1) is bonded in a tetrahedral geometry to one As(2), one As(3), and two equivalent As(1) atoms. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 7-coordinate geometry to one Rb(1), four equivalent Rb(3), one As(2), and one As(3) atom. In the second Tl site, Tl(2) is bonded in a 2-coordinate geometry to one Rb(1), four equivalent Rb(2), and two equivalent As(1) atoms. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 2-coordinate geometry to one Rb(2), two equivalent Rb(1), two equivalent Rb(3), one Ta(1), and one Tl(2) atom. In the second As site, As(2) is bonded in a 8-coordinate geometry to two equivalent Rb(2), four equivalent Rb(3), one Ta(1), and one Tl(1) atom. In the third As site, As(3) is bonded in a 7-coordinate geometry to one Rb(1), two equivalent Rb(2), two equivalent Rb(3), one Ta(1), and one Tl(1) atom.
Rb5Ta(TlAs2)2 crystallizes in the orthorhombic Pnma space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to one Tl(1), one Tl(2), one As(3), and four equivalent As(1) atoms. The Rb(1)-Tl(1) bond length is 3.63 Å. The Rb(1)-Tl(2) bond length is 3.98 Å. The Rb(1)-As(3) bond length is 3.71 Å. There are two shorter (3.94 Å) and two longer (3.98 Å) Rb(1)-As(1) bond lengths. In the second Rb site, Rb(2) is bonded in a 5-coordinate geometry to two equivalent Tl(2), one As(1), one As(2), and one As(3) atom. There is one shorter (3.70 Å) and one longer (3.78 Å) Rb(2)-Tl(2) bond length. The Rb(2)-As(1) bond length is 3.64 Å. The Rb(2)-As(2) bond length is 3.60 Å. The Rb(2)-As(3) bond length is 3.55 Å. In the third Rb site, Rb(3) is bonded in a 7-coordinate geometry to two equivalent Tl(1), one As(3), two equivalent As(1), and two equivalent As(2) atoms. There is one shorter (3.69 Å) and one longer (3.80 Å) Rb(3)-Tl(1) bond length. The Rb(3)-As(3) bond length is 3.55 Å. There is one shorter (3.59 Å) and one longer (3.62 Å) Rb(3)-As(1) bond length. There is one shorter (3.39 Å) and one longer (3.77 Å) Rb(3)-As(2) bond length. Ta(1) is bonded in a tetrahedral geometry to one As(2), one As(3), and two equivalent As(1) atoms. The Ta(1)-As(2) bond length is 2.52 Å. The Ta(1)-As(3) bond length is 2.47 Å. Both Ta(1)-As(1) bond lengths are 2.49 Å. There are two inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 7-coordinate geometry to one Rb(1), four equivalent Rb(3), one As(2), and one As(3) atom. The Tl(1)-As(2) bond length is 2.74 Å. The Tl(1)-As(3) bond length is 2.90 Å. In the second Tl site, Tl(2) is bonded in a 2-coordinate geometry to one Rb(1), four equivalent Rb(2), and two equivalent As(1) atoms. Both Tl(2)-As(1) bond lengths are 2.83 Å. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 2-coordinate geometry to one Rb(2), two equivalent Rb(1), two equivalent Rb(3), one Ta(1), and one Tl(2) atom. In the second As site, As(2) is bonded in a 8-coordinate geometry to two equivalent Rb(2), four equivalent Rb(3), one Ta(1), and one Tl(1) atom. In the third As site, As(3) is bonded in a 7-coordinate geometry to one Rb(1), two equivalent Rb(2), two equivalent Rb(3), one Ta(1), and one Tl(1) atom.