Materials Data on AlInGaSb3 by Materials Project

Abstract

InGaAlSb3 is Stannite-like structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. In3+ is bonded to four Sb3- atoms to form InSb4 tetrahedra that share corners with four equivalent InSb4 tetrahedra, corners with four equivalent GaSb4 tetrahedra, and corners with four equivalent AlSb4 tetrahedra. There are two shorter (2.83 Å) and two longer (2.84 Å) In–Sb bond lengths. Ga3+ is bonded to four Sb3- atoms to form GaSb4 tetrahedra that share corners with four equivalent InSb4 tetrahedra, corners with four equivalent GaSb4 tetrahedra, and corners with four equivalent AlSb4 tetrahedra. There are two shorter (2.71 Å) and two longer (2.73 Å) Ga–Sb bond lengths. Al3+ is bonded to four Sb3- atoms to form AlSb4 tetrahedra that share corners with four equivalent InSb4 tetrahedra, corners with four equivalent GaSb4 tetrahedra, and corners with four equivalent AlSb4 tetrahedra. There are two shorter (2.71 Å) and two longer (2.72 Å) Al–Sb bond lengths. There are three inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded to two equivalent In3+ and two equivalent Al3+ atoms to form corner-sharing SbAl2In2 tetrahedra. In the second Sb3- site, Sb3- is bonded to two equivalent In3+ and two equivalent Ga3+ atoms to form corner-sharing SbIn2Ga2 tetrahedra. In the third Sb3- site, Sb3- is bonded to two equivalent Ga3+ and two equivalent Al3+ atoms to form corner-sharing SbAl2Ga2 tetrahedra.