Materials Data on Cd41Ir8 by Materials Project
Ir8Cd41 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 10-coordinate geometry to ten Cd atoms. There are a spread of Ir–Cd bond distances ranging from 2.73–3.17 Å. In the second Ir site, Ir is bonded in a distorted q6 geometry to ten Cd atoms. There are a spread of Ir–Cd bond distances ranging from 2.76–2.95 Å. There are nine inequivalent Cd sites. In the first Cd site, Cd is bonded in a 8-coordinate geometry to two equivalent Ir and six equivalent Cd atoms. All Cd–Cd bond lengths are 3.07 Å. In the second Cd site, Cd is bonded in a cuboctahedral geometry to twelve Cd atoms. There are six shorter (3.17 Å) and six longer (3.18 Å) Cd–Cd bond lengths. In the third Cd site, Cd is bonded in a distorted linear geometry to two equivalent Ir atoms. In the fourth Cd site, Cd is bonded in a distorted bent 150 degrees geometry to two Ir and one Cd atom. In the fifth Cd site, Cd is bonded in a distorted linear geometry to two equivalent Ir atoms. In the sixth Cd site, Cd is bonded in a distorted linear geometry to two Ir and one Cd atom. In the seventh Cd site, Cd is bonded in a 2-coordinate geometry to two equivalent Ir atoms. In the eighth Cd site, Cd is bonded in a distorted bent 150 degrees geometry to two equivalent Ir and one Cd atom. In the ninth Cd site, Cd is bonded in a distorted linear geometry to two Ir atoms.