Materials Data on HgP2Se by Materials Project

Abstract

HgP2Se crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hg2+ is bonded in a body-centered cubic geometry to four equivalent P and four equivalent Se2- atoms. All Hg–P bond lengths are 2.91 Å. All Hg–Se bond lengths are 2.91 Å. There are two inequivalent P sites. In the first P site, P is bonded to four equivalent Se2- atoms to form corner-sharing PSe4 tetrahedra. All P–Se bond lengths are 2.91 Å. In the second P site, P is bonded in a 4-coordinate geometry to four equivalent Hg2+ atoms. Se2- is bonded in a distorted body-centered cubic geometry to four equivalent Hg2+ and four equivalent P atoms.