Materials Data on AlPd5I2 by Materials Project
Pd5AlI2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Pd5AlI2 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 4-coordinate geometry to two equivalent Pd, two equivalent Al, and two equivalent I atoms. Both Pd–Pd bond lengths are 2.71 Å. Both Pd–Al bond lengths are 2.71 Å. Both Pd–I bond lengths are 2.77 Å. In the second Pd site, Pd is bonded to eight equivalent Pd and four equivalent Al atoms to form PdAl4Pd8 cuboctahedra that share corners with four equivalent PdAl4Pd8 cuboctahedra, faces with four equivalent PdAl4Pd8 cuboctahedra, and faces with four equivalent AlPd12 cuboctahedra. All Pd–Al bond lengths are 2.90 Å. Al is bonded to twelve Pd atoms to form AlPd12 cuboctahedra that share corners with four equivalent AlPd12 cuboctahedra, faces with four equivalent PdAl4Pd8 cuboctahedra, and faces with four equivalent AlPd12 cuboctahedra. I is bonded in a 4-coordinate geometry to four equivalent Pd atoms.