CaIrIn2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 13-coordinate geometry to one Ir(1), two equivalent Ir(2), four equivalent In(1), and six equivalent In(2) atoms. In the second Ca site, Ca(2) is bonded in a 13-coordinate geometry to one Ir(2), two equivalent Ir(1), four equivalent In(2), and six equivalent In(1) atoms. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 9-coordinate geometry to one Ca(1), two equivalent Ca(2), two equivalent In(1), and four equivalent In(2) atoms. In the second Ir site, Ir(2) is bonded in a 9-coordinate geometry to one Ca(2), two equivalent Ca(1), two equivalent In(2), and four equivalent In(1) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 12-coordinate geometry to two equivalent Ca(1), three equivalent Ca(2), one Ir(1), two equivalent Ir(2), one In(2), and three equivalent In(1) atoms. In the second In site, In(2) is bonded in a 12-coordinate geometry to two equivalent Ca(2), three equivalent Ca(1), one Ir(2), two equivalent Ir(1), one In(1), and three equivalent In(2) atoms.
CaIrIn2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 13-coordinate geometry to one Ir(1), two equivalent Ir(2), four equivalent In(1), and six equivalent In(2) atoms. The Ca(1)-Ir(1) bond length is 3.11 Å. There is one shorter (2.96 Å) and one longer (3.18 Å) Ca(1)-Ir(2) bond length. There are two shorter (3.31 Å) and two longer (3.45 Å) Ca(1)-In(1) bond lengths. There are a spread of Ca(1)-In(2) bond distances ranging from 3.36-3.51 Å. In the second Ca site, Ca(2) is bonded in a 13-coordinate geometry to one Ir(2), two equivalent Ir(1), four equivalent In(2), and six equivalent In(1) atoms. The Ca(2)-Ir(2) bond length is 3.06 Å. There is one shorter (3.09 Å) and one longer (3.25 Å) Ca(2)-Ir(1) bond length. There are two shorter (3.35 Å) and two longer (3.58 Å) Ca(2)-In(2) bond lengths. There are a spread of Ca(2)-In(1) bond distances ranging from 3.29-3.43 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 9-coordinate geometry to one Ca(1), two equivalent Ca(2), two equivalent In(1), and four equivalent In(2) atoms. Both Ir(1)-In(1) bond lengths are 2.80 Å. There are two shorter (2.73 Å) and two longer (2.75 Å) Ir(1)-In(2) bond lengths. In the second Ir site, Ir(2) is bonded in a 9-coordinate geometry to one Ca(2), two equivalent Ca(1), two equivalent In(2), and four equivalent In(1) atoms. Both Ir(2)-In(2) bond lengths are 2.76 Å. There are two shorter (2.77 Å) and two longer (2.79 Å) Ir(2)-In(1) bond lengths. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 12-coordinate geometry to two equivalent Ca(1), three equivalent Ca(2), one Ir(1), two equivalent Ir(2), one In(2), and three equivalent In(1) atoms. The In(1)-In(2) bond length is 3.13 Å. There are a spread of In(1)-In(1) bond distances ranging from 3.08-3.28 Å. In the second In site, In(2) is bonded in a 12-coordinate geometry to two equivalent Ca(2), three equivalent Ca(1), one Ir(2), two equivalent Ir(1), one In(1), and three equivalent In(2) atoms. There is one shorter (3.14 Å) and two longer (3.22 Å) In(2)-In(2) bond lengths.