KHg2B crystallizes in the cubic F-43m space group. K(1) is bonded in a distorted body-centered cubic geometry to four equivalent Hg(1), six equivalent Hg(2), and four equivalent B(1) atoms. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to four equivalent K(1) and four equivalent Hg(2) atoms to form distorted HgK4Hg4 tetrahedra that share corners with four equivalent B(1)K4 tetrahedra, edges with six equivalent B(1)K4 tetrahedra, and edges with twelve equivalent Hg(1)K4Hg4 tetrahedra. In the second Hg site, Hg(2) is bonded in a 10-coordinate geometry to six equivalent K(1) and four equivalent Hg(1) atoms. B(1) is bonded to four equivalent K(1) atoms to form BK4 tetrahedra that share corners with four equivalent Hg(1)K4Hg4 tetrahedra, corners with twelve equivalent B(1)K4 tetrahedra, and edges with six equivalent Hg(1)K4Hg4 tetrahedra.
KHg2B crystallizes in the cubic F-43m space group. K(1) is bonded in a distorted body-centered cubic geometry to four equivalent Hg(1), six equivalent Hg(2), and four equivalent B(1) atoms. All K(1)-Hg(1) bond lengths are 3.16 Å. All K(1)-Hg(2) bond lengths are 3.65 Å. All K(1)-B(1) bond lengths are 3.16 Å. There are two inequivalent Hg sites. In the first Hg site, Hg(1) is bonded to four equivalent K(1) and four equivalent Hg(2) atoms to form distorted HgK4Hg4 tetrahedra that share corners with four equivalent B(1)K4 tetrahedra, edges with six equivalent B(1)K4 tetrahedra, and edges with twelve equivalent Hg(1)K4Hg4 tetrahedra. All Hg(1)-Hg(2) bond lengths are 3.16 Å. In the second Hg site, Hg(2) is bonded in a 10-coordinate geometry to six equivalent K(1) and four equivalent Hg(1) atoms. B(1) is bonded to four equivalent K(1) atoms to form BK4 tetrahedra that share corners with four equivalent Hg(1)K4Hg4 tetrahedra, corners with twelve equivalent B(1)K4 tetrahedra, and edges with six equivalent Hg(1)K4Hg4 tetrahedra.