Materials Data on CeSi2Ir3 by Materials Project

CeIr3Si2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to two equivalent Ce, twelve Ir, and six equivalent Si atoms. Both Ce–Ce bond lengths are 3.65 Å. There are a spread of Ce–Ir bond distances ranging from 3.15–3.56 Å. There are a spread of Ce–Si bond distances ranging from 3.17–3.36 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 12-coordinate geometry to four equivalent Ce and four equivalent Si atoms. All Ir–Si bond lengths are 2.47 Å. In the second Ir site, Ir is bonded in a 4-coordinate geometry to four equivalent Ce and four equivalent Si atoms. There are two shorter (2.45 Å) and two longer (2.46 Å) Ir–Si bond lengths. Si is bonded in a 10-coordinate geometry to three equivalent Ce and six Ir atoms.