Materials Data on Ga3Hg by Materials Project
HgGa3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hg is bonded to twelve Ga atoms to form HgGa12 cuboctahedra that share corners with four equivalent HgGa12 cuboctahedra, edges with eight equivalent HgGa12 cuboctahedra, edges with sixteen equivalent GaGa8Hg4 cuboctahedra, faces with four equivalent HgGa12 cuboctahedra, and faces with eight equivalent GaGa8Hg4 cuboctahedra. There are four shorter (3.00 Å) and eight longer (3.15 Å) Hg–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Hg and eight Ga atoms to form distorted GaGa8Hg4 cuboctahedra that share corners with twelve equivalent GaGa8Hg4 cuboctahedra, edges with eight equivalent HgGa12 cuboctahedra, edges with eight equivalent GaGa8Hg4 cuboctahedra, faces with four equivalent HgGa12 cuboctahedra, and faces with ten equivalent GaGa8Hg4 cuboctahedra. There are four shorter (3.00 Å) and four longer (3.15 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a square co-planar geometry to four equivalent Hg and eight equivalent Ga atoms.