Ba2AuTl7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 13-coordinate geometry to two equivalent Au(1), one Tl(4), two equivalent Tl(1), two equivalent Tl(5), three equivalent Tl(3), and three equivalent Tl(6) atoms. In the second Ba site, Ba(2) is bonded in a 14-coordinate geometry to three equivalent Au(1), one Tl(6), two equivalent Tl(5), two equivalent Tl(7), three equivalent Tl(2), and three equivalent Tl(4) atoms. Au(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), three equivalent Ba(2), one Tl(1), one Tl(2), one Tl(5), and two equivalent Tl(4) atoms. There are seven inequivalent Tl sites. In the first Tl site, Tl(7) is bonded in a 7-coordinate geometry to two equivalent Ba(2), one Tl(1), one Tl(4), one Tl(5), and two equivalent Tl(2) atoms. In the second Tl site, Tl(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Au(1), one Tl(7), and three equivalent Tl(3) atoms. In the third Tl site, Tl(2) is bonded in a distorted single-bond geometry to three equivalent Ba(2), one Au(1), one Tl(3), and two equivalent Tl(7) atoms. In the fourth Tl site, Tl(3) is bonded in a 8-coordinate geometry to three equivalent Ba(1), one Tl(2), one Tl(6), and three equivalent Tl(1) atoms. In the fifth Tl site, Tl(4) is bonded in a distorted bent 120 degrees geometry to one Ba(1), three equivalent Ba(2), two equivalent Au(1), and one Tl(7) atom. In the sixth Tl site, Tl(5) is bonded in a distorted single-bond geometry to two equivalent Ba(1), two equivalent Ba(2), one Au(1), one Tl(7), and three equivalent Tl(6) atoms. In the seventh Tl site, Tl(6) is bonded in a 8-coordinate geometry to one Ba(2), three equivalent Ba(1), one Tl(3), and three equivalent Tl(5) atoms.
Ba2AuTl7 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 13-coordinate geometry to two equivalent Au(1), one Tl(4), two equivalent Tl(1), two equivalent Tl(5), three equivalent Tl(3), and three equivalent Tl(6) atoms. Both Ba(1)-Au(1) bond lengths are 3.99 Å. The Ba(1)-Tl(4) bond length is 3.78 Å. Both Ba(1)-Tl(1) bond lengths are 3.85 Å. Both Ba(1)-Tl(5) bond lengths are 3.68 Å. There are two shorter (3.74 Å) and one longer (3.77 Å) Ba(1)-Tl(3) bond length. There are two shorter (3.75 Å) and one longer (3.82 Å) Ba(1)-Tl(6) bond length. In the second Ba site, Ba(2) is bonded in a 14-coordinate geometry to three equivalent Au(1), one Tl(6), two equivalent Tl(5), two equivalent Tl(7), three equivalent Tl(2), and three equivalent Tl(4) atoms. There are two shorter (3.79 Å) and one longer (3.84 Å) Ba(2)-Au(1) bond length. The Ba(2)-Tl(6) bond length is 3.74 Å. Both Ba(2)-Tl(5) bond lengths are 3.82 Å. Both Ba(2)-Tl(7) bond lengths are 3.94 Å. There are two shorter (3.66 Å) and one longer (3.85 Å) Ba(2)-Tl(2) bond length. There are two shorter (3.70 Å) and one longer (3.73 Å) Ba(2)-Tl(4) bond length. Au(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), three equivalent Ba(2), one Tl(1), one Tl(2), one Tl(5), and two equivalent Tl(4) atoms. The Au(1)-Tl(1) bond length is 2.97 Å. The Au(1)-Tl(2) bond length is 3.00 Å. The Au(1)-Tl(5) bond length is 2.88 Å. Both Au(1)-Tl(4) bond lengths are 2.97 Å. There are seven inequivalent Tl sites. In the first Tl site, Tl(7) is bonded in a 7-coordinate geometry to two equivalent Ba(2), one Tl(1), one Tl(4), one Tl(5), and two equivalent Tl(2) atoms. The Tl(7)-Tl(1) bond length is 3.31 Å. The Tl(7)-Tl(4) bond length is 3.46 Å. The Tl(7)-Tl(5) bond length is 3.22 Å. Both Tl(7)-Tl(2) bond lengths are 3.18 Å. In the second Tl site, Tl(1) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Au(1), one Tl(7), and three equivalent Tl(3) atoms. There are two shorter (3.20 Å) and one longer (3.56 Å) Tl(1)-Tl(3) bond length. In the third Tl site, Tl(2) is bonded in a distorted single-bond geometry to three equivalent Ba(2), one Au(1), one Tl(3), and two equivalent Tl(7) atoms. The Tl(2)-Tl(3) bond length is 3.41 Å. In the fourth Tl site, Tl(3) is bonded in a 8-coordinate geometry to three equivalent Ba(1), one Tl(2), one Tl(6), and three equivalent Tl(1) atoms. The Tl(3)-Tl(6) bond length is 3.20 Å. In the fifth Tl site, Tl(4) is bonded in a distorted bent 120 degrees geometry to one Ba(1), three equivalent Ba(2), two equivalent Au(1), and one Tl(7) atom. In the sixth Tl site, Tl(5) is bonded in a distorted single-bond geometry to two equivalent Ba(1), two equivalent Ba(2), one Au(1), one Tl(7), and three equivalent Tl(6) atoms. There are two shorter (3.18 Å) and one longer (3.28 Å) Tl(5)-Tl(6) bond length. In the seventh Tl site, Tl(6) is bonded in a 8-coordinate geometry to one Ba(2), three equivalent Ba(1), one Tl(3), and three equivalent Tl(5) atoms.