Materials Data on Tb4CdPd by Materials Project

Abstract

Tb4PdCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 3-coordinate geometry to three equivalent Pd and three equivalent Cd atoms. All Tb–Pd bond lengths are 2.89 Å. All Tb–Cd bond lengths are 3.40 Å. In the second Tb site, Tb is bonded in a distorted bent 150 degrees geometry to two equivalent Pd and two equivalent Cd atoms. Both Tb–Pd bond lengths are 2.88 Å. Both Tb–Cd bond lengths are 3.54 Å. In the third Tb site, Tb is bonded in a 4-coordinate geometry to two equivalent Pd and two equivalent Cd atoms. Both Tb–Pd bond lengths are 3.57 Å. Both Tb–Cd bond lengths are 3.29 Å. Pd is bonded in a 6-coordinate geometry to nine Tb atoms. Cd is bonded to nine Tb and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdTb9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.20 Å.