Materials Data on CeCd11 by Materials Project

Abstract

CeCd11 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to twenty Cd atoms. There are a spread of Ce–Cd bond distances ranging from 3.59–3.89 Å. There are seven inequivalent Cd sites. In the first Cd site, Cd is bonded in a distorted q6 geometry to two equivalent Ce and eight Cd atoms. There are four shorter (2.95 Å) and four longer (3.03 Å) Cd–Cd bond lengths. In the second Cd site, Cd is bonded in a 10-coordinate geometry to one Ce and nine Cd atoms. The Cd–Ce bond length is 3.59 Å. All Cd–Cd bond lengths are 3.14 Å. In the third Cd site, Cd is bonded in a 9-coordinate geometry to three equivalent Ce and six Cd atoms. All Cd–Cd bond lengths are 2.96 Å. In the fourth Cd site, Cd is bonded in a 10-coordinate geometry to one Ce and nine Cd atoms. All Cd–Cd bond lengths are 3.14 Å. In the fifth Cd site, Cd is bonded in a 10-coordinate geometry to one Ce and nine Cd atoms. The Cd–Ce bond length is 3.59 Å. Both Cd–Cd bond lengths are 3.14 Å. In the sixth Cd site, Cd is bonded in a 10-coordinate geometry to one Ce and nine Cd atoms. The Cd–Ce bond length is 3.59 Å. There are four shorter (3.03 Å) and four longer (3.14 Å) Cd–Cd bond lengths. In the seventh Cd site, Cd is bonded in a cuboctahedral geometry to twelve Cd atoms.