KHg6 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 16-coordinate geometry to two equivalent Hg(1), two equivalent Hg(2), three equivalent Hg(3), three equivalent Hg(4), three equivalent Hg(5), and three equivalent Hg(6) atoms. There are six inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 7-coordinate geometry to two equivalent K(1), one Hg(3), one Hg(5), and three equivalent Hg(2) atoms. In the second Hg site, Hg(2) is bonded in a 9-coordinate geometry to two equivalent K(1), one Hg(4), one Hg(6), two equivalent Hg(5), and three equivalent Hg(1) atoms. In the third Hg site, Hg(3) is bonded in a 8-coordinate geometry to three equivalent K(1), one Hg(1), one Hg(5), one Hg(6), and two equivalent Hg(4) atoms. In the fourth Hg site, Hg(4) is bonded in a 8-coordinate geometry to three equivalent K(1), one Hg(2), one Hg(5), one Hg(6), and two equivalent Hg(3) atoms. In the fifth Hg site, Hg(5) is bonded in a 8-coordinate geometry to three equivalent K(1), one Hg(1), one Hg(3), one Hg(4), and two equivalent Hg(2) atoms. In the sixth Hg site, Hg(6) is bonded in a 6-coordinate geometry to three equivalent K(1), one Hg(2), one Hg(3), and one Hg(4) atom.
KHg6 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 16-coordinate geometry to two equivalent Hg(1), two equivalent Hg(2), three equivalent Hg(3), three equivalent Hg(4), three equivalent Hg(5), and three equivalent Hg(6) atoms. There is one shorter (3.75 Å) and one longer (4.02 Å) K(1)-Hg(1) bond length. Both K(1)-Hg(2) bond lengths are 3.86 Å. There are two shorter (3.75 Å) and one longer (3.77 Å) K(1)-Hg(3) bond length. There are two shorter (3.53 Å) and one longer (3.93 Å) K(1)-Hg(4) bond length. There are two shorter (3.86 Å) and one longer (3.95 Å) K(1)-Hg(5) bond length. There is one shorter (3.58 Å) and two longer (3.69 Å) K(1)-Hg(6) bond lengths. There are six inequivalent Hg sites. In the first Hg site, Hg(1) is bonded in a 7-coordinate geometry to two equivalent K(1), one Hg(3), one Hg(5), and three equivalent Hg(2) atoms. The Hg(1)-Hg(3) bond length is 3.05 Å. The Hg(1)-Hg(5) bond length is 3.10 Å. There is one shorter (3.11 Å) and two longer (3.33 Å) Hg(1)-Hg(2) bond lengths. In the second Hg site, Hg(2) is bonded in a 9-coordinate geometry to two equivalent K(1), one Hg(4), one Hg(6), two equivalent Hg(5), and three equivalent Hg(1) atoms. The Hg(2)-Hg(4) bond length is 3.10 Å. The Hg(2)-Hg(6) bond length is 2.99 Å. Both Hg(2)-Hg(5) bond lengths are 3.21 Å. In the third Hg site, Hg(3) is bonded in a 8-coordinate geometry to three equivalent K(1), one Hg(1), one Hg(5), one Hg(6), and two equivalent Hg(4) atoms. The Hg(3)-Hg(5) bond length is 3.05 Å. The Hg(3)-Hg(6) bond length is 2.96 Å. Both Hg(3)-Hg(4) bond lengths are 3.15 Å. In the fourth Hg site, Hg(4) is bonded in a 8-coordinate geometry to three equivalent K(1), one Hg(2), one Hg(5), one Hg(6), and two equivalent Hg(3) atoms. The Hg(4)-Hg(5) bond length is 3.00 Å. The Hg(4)-Hg(6) bond length is 3.06 Å. In the fifth Hg site, Hg(5) is bonded in a 8-coordinate geometry to three equivalent K(1), one Hg(1), one Hg(3), one Hg(4), and two equivalent Hg(2) atoms. In the sixth Hg site, Hg(6) is bonded in a 6-coordinate geometry to three equivalent K(1), one Hg(2), one Hg(3), and one Hg(4) atom.