Materials Data on Na2GaHgBr6 by Materials Project
(Na)2HgGaBr6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one HgGaBr6 framework. In the HgGaBr6 framework, Hg1+ is bonded to six equivalent Br1- atoms to form HgBr6 octahedra that share corners with six equivalent GaBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–Br bond lengths are 2.87 Å. Ga3+ is bonded to six equivalent Br1- atoms to form GaBr6 octahedra that share corners with six equivalent HgBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–Br bond lengths are 2.61 Å. Br1- is bonded in a linear geometry to one Hg1+ and one Ga3+ atom.
36 MATERIALS SCIENCE↗