Materials Data on In4As3Se by Materials Project
In4As3Se is Chalcopyrite-like structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. In+2.75+ is bonded to three As3- and one Se2- atom to form corner-sharing InAs3Se tetrahedra. All In–As bond lengths are 2.71 Å. The In–Se bond length is 2.79 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to four equivalent In+2.75+ atoms to form AsIn4 tetrahedra that share corners with four equivalent SeIn4 tetrahedra and corners with eight equivalent AsIn4 tetrahedra. In the second As3- site, As3- is bonded to four equivalent In+2.75+ atoms to form AsIn4 tetrahedra that share corners with four equivalent SeIn4 tetrahedra and corners with eight AsIn4 tetrahedra. Se2- is bonded to four equivalent In+2.75+ atoms to form SeIn4 tetrahedra that share corners with twelve AsIn4 tetrahedra.