K5(PbAs)3 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pnma space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one Pb(1), two equivalent Pb(2), one As(1), and three equivalent As(2) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one Pb(2), two equivalent Pb(1), two equivalent As(1), and two equivalent As(2) atoms. In the third K site, K(3) is bonded in a 7-coordinate geometry to two equivalent Pb(2), four equivalent Pb(1), one As(1), and two equivalent As(2) atoms. In the fourth K site, K(4) is bonded in a 8-coordinate geometry to four equivalent Pb(1), two equivalent As(1), and two equivalent As(2) atoms. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 11-coordinate geometry to one K(1), one K(2), two equivalent K(3), two equivalent K(4), one Pb(2), two equivalent Pb(1), one As(1), and one As(2) atom. In the second Pb site, Pb(2) is bonded in a 11-coordinate geometry to one K(2), two equivalent K(3), four equivalent K(1), two equivalent Pb(1), and two equivalent As(2) atoms. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to one K(3), two equivalent K(1), two equivalent K(2), two equivalent K(4), and two equivalent Pb(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to one K(2), one K(3), one K(4), three equivalent K(1), one Pb(1), and one Pb(2) atom.
K5(PbAs)3 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pnma space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one Pb(1), two equivalent Pb(2), one As(1), and three equivalent As(2) atoms. The K(1)-Pb(1) bond length is 3.70 Å. There is one shorter (3.81 Å) and one longer (4.10 Å) K(1)-Pb(2) bond length. The K(1)-As(1) bond length is 3.65 Å. There are a spread of K(1)-As(2) bond distances ranging from 3.31-3.60 Å. In the second K site, K(2) is bonded in a 7-coordinate geometry to one Pb(2), two equivalent Pb(1), two equivalent As(1), and two equivalent As(2) atoms. The K(2)-Pb(2) bond length is 4.19 Å. Both K(2)-Pb(1) bond lengths are 4.02 Å. There is one shorter (3.63 Å) and one longer (3.65 Å) K(2)-As(1) bond length. Both K(2)-As(2) bond lengths are 3.78 Å. In the third K site, K(3) is bonded in a 7-coordinate geometry to two equivalent Pb(2), four equivalent Pb(1), one As(1), and two equivalent As(2) atoms. There is one shorter (3.68 Å) and one longer (3.84 Å) K(3)-Pb(2) bond length. There are two shorter (3.70 Å) and two longer (3.99 Å) K(3)-Pb(1) bond lengths. The K(3)-As(1) bond length is 3.43 Å. Both K(3)-As(2) bond lengths are 3.20 Å. In the fourth K site, K(4) is bonded in a 8-coordinate geometry to four equivalent Pb(1), two equivalent As(1), and two equivalent As(2) atoms. There are two shorter (3.58 Å) and two longer (3.83 Å) K(4)-Pb(1) bond lengths. Both K(4)-As(1) bond lengths are 3.56 Å. Both K(4)-As(2) bond lengths are 3.43 Å. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 11-coordinate geometry to one K(1), one K(2), two equivalent K(3), two equivalent K(4), one Pb(2), two equivalent Pb(1), one As(1), and one As(2) atom. The Pb(1)-Pb(2) bond length is 3.35 Å. There is one shorter (3.23 Å) and one longer (3.38 Å) Pb(1)-Pb(1) bond length. The Pb(1)-As(1) bond length is 2.84 Å. The Pb(1)-As(2) bond length is 2.78 Å. In the second Pb site, Pb(2) is bonded in a 11-coordinate geometry to one K(2), two equivalent K(3), four equivalent K(1), two equivalent Pb(1), and two equivalent As(2) atoms. Both Pb(2)-As(2) bond lengths are 2.87 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to one K(3), two equivalent K(1), two equivalent K(2), two equivalent K(4), and two equivalent Pb(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to one K(2), one K(3), one K(4), three equivalent K(1), one Pb(1), and one Pb(2) atom.