Ca3Ir4Sn13 crystallizes in the cubic Pm-3n space group. Ca(1) is bonded in a 16-coordinate geometry to four equivalent Ir(1) and twelve equivalent Sn(2) atoms. Ir(1) is bonded in a 9-coordinate geometry to three equivalent Ca(1) and six equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(2) is bonded in a 2-coordinate geometry to three equivalent Ca(1), two equivalent Ir(1), and one Sn(1) atom. In the second Sn site, Sn(1) is bonded in a cuboctahedral geometry to twelve equivalent Sn(2) atoms.
Ca3Ir4Sn13 crystallizes in the cubic Pm-3n space group. Ca(1) is bonded in a 16-coordinate geometry to four equivalent Ir(1) and twelve equivalent Sn(2) atoms. All Ca(1)-Ir(1) bond lengths are 3.46 Å. There are four shorter (3.44 Å) and eight longer (3.45 Å) Ca(1)-Sn(2) bond lengths. Ir(1) is bonded in a 9-coordinate geometry to three equivalent Ca(1) and six equivalent Sn(2) atoms. All Ir(1)-Sn(2) bond lengths are 2.68 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(2) is bonded in a 2-coordinate geometry to three equivalent Ca(1), two equivalent Ir(1), and one Sn(1) atom. The Sn(2)-Sn(1) bond length is 3.32 Å. In the second Sn site, Sn(1) is bonded in a cuboctahedral geometry to twelve equivalent Sn(2) atoms.