Materials Data on Th6Cd23 by Materials Project

Abstract

Th6Cd23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Th is bonded in a 4-coordinate geometry to four equivalent Th and twelve Cd atoms. All Th–Th bond lengths are 3.87 Å. There are a spread of Th–Cd bond distances ranging from 3.36–3.63 Å. There are four inequivalent Cd sites. In the first Cd site, Cd is bonded in a 12-coordinate geometry to three equivalent Th and nine Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.89–3.33 Å. In the second Cd site, Cd is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Cd–Cd bond lengths are 2.93 Å. In the third Cd site, Cd is bonded to four equivalent Th and eight Cd atoms to form a mixture of face and corner-sharing CdTh4Cd8 cuboctahedra. All Cd–Cd bond lengths are 3.11 Å. In the fourth Cd site, Cd is bonded in a 4-coordinate geometry to three equivalent Th and ten Cd atoms. All Cd–Cd bond lengths are 3.39 Å.