Materials Data on Cd2SnGeAs4 by Materials Project

Abstract

Cd2SnGeAs4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four equivalent As3- atoms to form CdAs4 tetrahedra that share corners with four equivalent CdAs4 tetrahedra, corners with four equivalent SnAs4 tetrahedra, and corners with four equivalent GeAs4 tetrahedra. All Cd–As bond lengths are 2.70 Å. In the second Cd2+ site, Cd2+ is bonded to four equivalent As3- atoms to form CdAs4 tetrahedra that share corners with four equivalent CdAs4 tetrahedra, corners with four equivalent SnAs4 tetrahedra, and corners with four equivalent GeAs4 tetrahedra. All Cd–As bond lengths are 2.68 Å. Sn4+ is bonded to four equivalent As3- atoms to form SnAs4 tetrahedra that share corners with four equivalent GeAs4 tetrahedra and corners with eight CdAs4 tetrahedra. All Sn–As bond lengths are 2.66 Å. Ge4+ is bonded to four equivalent As3- atoms to form GeAs4 tetrahedra that share corners with four equivalent SnAs4 tetrahedra and corners with eight CdAs4 tetrahedra. All Ge–As bond lengths are 2.49 Å. As3- is bonded to two Cd2+, one Sn4+, and one Ge4+ atom to form corner-sharing AsCd2SnGe tetrahedra.