Materials Data on ZnIn2SnAs4 by Materials Project

Abstract

ZnIn2SnAs4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Zn2+ is bonded to four equivalent As3- atoms to form ZnAs4 tetrahedra that share corners with four equivalent SnAs4 tetrahedra and corners with eight equivalent InAs4 tetrahedra. All Zn–As bond lengths are 2.51 Å. In3+ is bonded to four equivalent As3- atoms to form InAs4 tetrahedra that share corners with four equivalent ZnAs4 tetrahedra, corners with four equivalent InAs4 tetrahedra, and corners with four equivalent SnAs4 tetrahedra. All In–As bond lengths are 2.67 Å. Sn4+ is bonded to four equivalent As3- atoms to form SnAs4 tetrahedra that share corners with four equivalent ZnAs4 tetrahedra and corners with eight equivalent InAs4 tetrahedra. All Sn–As bond lengths are 2.67 Å. As3- is bonded to one Zn2+, two equivalent In3+, and one Sn4+ atom to form corner-sharing AsZnIn2Sn tetrahedra.