Pt8In2As crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to four equivalent Pt(1), four equivalent Pt(3), and four equivalent In(1) atoms to form distorted PtIn4Pt8 cuboctahedra that share corners with four equivalent Pt(1)In4Pt8 cuboctahedra, edges with eight equivalent Pt(3)In4Pt8 cuboctahedra, edges with eight equivalent In(1)Pt12 cuboctahedra, faces with four equivalent Pt(3)In4Pt8 cuboctahedra, faces with four equivalent In(1)Pt12 cuboctahedra, and faces with eight equivalent Pt(1)In4Pt8 cuboctahedra. In the second Pt site, Pt(2) is bonded in a 4-coordinate geometry to two equivalent Pt(3), two equivalent In(1), and two equivalent As(1) atoms. In the third Pt site, Pt(3) is bonded to four equivalent Pt(1), four equivalent Pt(2), and four equivalent In(1) atoms to form distorted PtIn4Pt8 cuboctahedra that share corners with eight equivalent Pt(3)In4Pt8 cuboctahedra, edges with four equivalent In(1)Pt12 cuboctahedra, edges with eight equivalent Pt(1)In4Pt8 cuboctahedra, faces with four equivalent Pt(1)In4Pt8 cuboctahedra, faces with four equivalent In(1)Pt12 cuboctahedra, and faces with five equivalent Pt(3)In4Pt8 cuboctahedra. In(1) is bonded to four equivalent Pt(1), four equivalent Pt(2), and four equivalent Pt(3) atoms to form InPt12 cuboctahedra that share corners with eight equivalent In(1)Pt12 cuboctahedra, edges with four equivalent Pt(3)In4Pt8 cuboctahedra, edges with eight equivalent Pt(1)In4Pt8 cuboctahedra, faces with four equivalent Pt(1)In4Pt8 cuboctahedra, faces with four equivalent Pt(3)In4Pt8 cuboctahedra, and faces with five equivalent In(1)Pt12 cuboctahedra. As(1) is bonded in a body-centered cubic geometry to eight equivalent Pt(2) atoms.
Pt8In2As crystallizes in the tetragonal P4/mmm space group. There are three inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to four equivalent Pt(1), four equivalent Pt(3), and four equivalent In(1) atoms to form distorted PtIn4Pt8 cuboctahedra that share corners with four equivalent Pt(1)In4Pt8 cuboctahedra, edges with eight equivalent Pt(3)In4Pt8 cuboctahedra, edges with eight equivalent In(1)Pt12 cuboctahedra, faces with four equivalent Pt(3)In4Pt8 cuboctahedra, faces with four equivalent In(1)Pt12 cuboctahedra, and faces with eight equivalent Pt(1)In4Pt8 cuboctahedra. All Pt(1)-Pt(1) bond lengths are 2.84 Å. All Pt(1)-Pt(3) bond lengths are 2.84 Å. All Pt(1)-In(1) bond lengths are 2.85 Å. In the second Pt site, Pt(2) is bonded in a 4-coordinate geometry to two equivalent Pt(3), two equivalent In(1), and two equivalent As(1) atoms. Both Pt(2)-Pt(3) bond lengths are 2.87 Å. Both Pt(2)-In(1) bond lengths are 2.86 Å. Both Pt(2)-As(1) bond lengths are 2.53 Å. In the third Pt site, Pt(3) is bonded to four equivalent Pt(1), four equivalent Pt(2), and four equivalent In(1) atoms to form distorted PtIn4Pt8 cuboctahedra that share corners with eight equivalent Pt(3)In4Pt8 cuboctahedra, edges with four equivalent In(1)Pt12 cuboctahedra, edges with eight equivalent Pt(1)In4Pt8 cuboctahedra, faces with four equivalent Pt(1)In4Pt8 cuboctahedra, faces with four equivalent In(1)Pt12 cuboctahedra, and faces with five equivalent Pt(3)In4Pt8 cuboctahedra. All Pt(3)-In(1) bond lengths are 2.84 Å. In(1) is bonded to four equivalent Pt(1), four equivalent Pt(2), and four equivalent Pt(3) atoms to form InPt12 cuboctahedra that share corners with eight equivalent In(1)Pt12 cuboctahedra, edges with four equivalent Pt(3)In4Pt8 cuboctahedra, edges with eight equivalent Pt(1)In4Pt8 cuboctahedra, faces with four equivalent Pt(1)In4Pt8 cuboctahedra, faces with four equivalent Pt(3)In4Pt8 cuboctahedra, and faces with five equivalent In(1)Pt12 cuboctahedra. As(1) is bonded in a body-centered cubic geometry to eight equivalent Pt(2) atoms.