InSb crystallizes in the orthorhombic Cmcm space group. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent Sb(2) and four equivalent Sb(1) atoms to form distorted InSb6 octahedra that share corners with two equivalent Sb(2)In5Sb octahedra, corners with four equivalent In(1)Sb6 octahedra, and edges with four equivalent In(1)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 0-39°. In the second In site, In(2) is bonded in a 5-coordinate geometry to one Sb(1) and four equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent In(2) and four equivalent In(1) atoms to form SbIn6 octahedra that share corners with four equivalent Sb(1)In6 octahedra, edges with four equivalent Sb(1)In6 octahedra, and edges with eight equivalent Sb(2)In5Sb octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Sb site, Sb(2) is bonded to one In(1), four equivalent In(2), and one Sb(2) atom to form distorted SbIn5Sb octahedra that share  a cornercorner with one In(1)Sb6 octahedra, corners with five equivalent Sb(2)In5Sb octahedra, edges with four equivalent Sb(2)In5Sb octahedra, and edges with four equivalent Sb(1)In6 octahedra. The corner-sharing octahedral tilt angles range from 9-39°.
InSb crystallizes in the orthorhombic Cmcm space group. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent Sb(2) and four equivalent Sb(1) atoms to form distorted InSb6 octahedra that share corners with two equivalent Sb(2)In5Sb octahedra, corners with four equivalent In(1)Sb6 octahedra, and edges with four equivalent In(1)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 0-39°. Both In(1)-Sb(2) bond lengths are 3.30 Å. There are a spread of In(1)-Sb(1) bond distances ranging from 3.04-3.19 Å. In the second In site, In(2) is bonded in a 5-coordinate geometry to one Sb(1) and four equivalent Sb(2) atoms. The In(2)-Sb(1) bond length is 3.07 Å. There are a spread of In(2)-Sb(2) bond distances ranging from 3.05-3.22 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent In(2) and four equivalent In(1) atoms to form SbIn6 octahedra that share corners with four equivalent Sb(1)In6 octahedra, edges with four equivalent Sb(1)In6 octahedra, and edges with eight equivalent Sb(2)In5Sb octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Sb site, Sb(2) is bonded to one In(1), four equivalent In(2), and one Sb(2) atom to form distorted SbIn5Sb octahedra that share  a cornercorner with one In(1)Sb6 octahedra, corners with five equivalent Sb(2)In5Sb octahedra, edges with four equivalent Sb(2)In5Sb octahedra, and edges with four equivalent Sb(1)In6 octahedra. The corner-sharing octahedral tilt angles range from 9-39°. The Sb(2)-Sb(2) bond length is 2.93 Å.