Materials Data on RbHgSbTe3 by Materials Project

Abstract

RbHgSbTe3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.76–4.09 Å. Hg2+ is bonded to four Te2- atoms to form HgTe4 tetrahedra that share corners with two equivalent HgTe4 tetrahedra and edges with four equivalent SbTe6 octahedra. There are a spread of Hg–Te bond distances ranging from 2.82–2.96 Å. Sb3+ is bonded to six Te2- atoms to form SbTe6 octahedra that share corners with two equivalent SbTe6 octahedra, edges with two equivalent SbTe6 octahedra, and edges with four equivalent HgTe4 tetrahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Sb–Te bond distances ranging from 2.91–3.47 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Rb1+, one Hg2+, and two equivalent Sb3+ atoms. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Rb1+, one Hg2+, and two equivalent Sb3+ atoms. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent Rb1+, two equivalent Hg2+, and two equivalent Sb3+ atoms.