Materials Data on CeAl4Si2Ir by Materials Project

CeIrAl4Si2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to eight equivalent Al and eight equivalent Si atoms. All Ce–Al bond lengths are 3.37 Å. All Ce–Si bond lengths are 3.22 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ir–Al bond lengths are 2.52 Å. Al is bonded to two equivalent Ce, two equivalent Ir, and two equivalent Si atoms to form a mixture of distorted edge, face, and corner-sharing AlCe2Si2Ir2 tetrahedra. Both Al–Si bond lengths are 2.59 Å. Si is bonded in a 9-coordinate geometry to four equivalent Ce, four equivalent Al, and one Si atom. The Si–Si bond length is 2.27 Å.