MgSiSb2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Mg(1) is bonded to four equivalent Sb(1) atoms to form MgSb4 tetrahedra that share corners with four equivalent Mg(1)Sb4 tetrahedra and corners with eight equivalent Si(1)Sb4 tetrahedra. Si(1) is bonded to four equivalent Sb(1) atoms to form SiSb4 tetrahedra that share corners with four equivalent Si(1)Sb4 tetrahedra and corners with eight equivalent Mg(1)Sb4 tetrahedra. Sb(1) is bonded to two equivalent Mg(1) and two equivalent Si(1) atoms to form corner-sharing SbMg2Si2 tetrahedra.
MgSiSb2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. Mg(1) is bonded to four equivalent Sb(1) atoms to form MgSb4 tetrahedra that share corners with four equivalent Mg(1)Sb4 tetrahedra and corners with eight equivalent Si(1)Sb4 tetrahedra. All Mg(1)-Sb(1) bond lengths are 2.84 Å. Si(1) is bonded to four equivalent Sb(1) atoms to form SiSb4 tetrahedra that share corners with four equivalent Si(1)Sb4 tetrahedra and corners with eight equivalent Mg(1)Sb4 tetrahedra. All Si(1)-Sb(1) bond lengths are 2.61 Å. Sb(1) is bonded to two equivalent Mg(1) and two equivalent Si(1) atoms to form corner-sharing SbMg2Si2 tetrahedra.