Materials Data on KSi2Hg by Materials Project
KHgSi2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. K is bonded in a distorted body-centered cubic geometry to four equivalent Hg and ten Si atoms. All K–Hg bond lengths are 3.13 Å. There are four shorter (3.13 Å) and six longer (3.61 Å) K–Si bond lengths. Hg is bonded to four equivalent K and four equivalent Si atoms to form distorted HgK4Si4 tetrahedra that share corners with four equivalent SiK4 tetrahedra, edges with six equivalent SiK4 tetrahedra, and edges with twelve equivalent HgK4Si4 tetrahedra. All Hg–Si bond lengths are 3.13 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded to four equivalent K atoms to form SiK4 tetrahedra that share corners with four equivalent HgK4Si4 tetrahedra, corners with twelve equivalent SiK4 tetrahedra, and edges with six equivalent HgK4Si4 tetrahedra. In the second Si site, Si is bonded in a 10-coordinate geometry to six equivalent K and four equivalent Hg atoms.