Materials Data on ScCd7 by Materials Project

Abstract

ScCd7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sc is bonded to fourteen Cd atoms to form a mixture of distorted corner and face-sharing ScCd14 cuboctahedra. There are a spread of Sc–Cd bond distances ranging from 3.17–3.78 Å. There are four inequivalent Cd sites. In the first Cd site, Cd is bonded in a 11-coordinate geometry to two equivalent Sc and nine Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.02–3.28 Å. In the second Cd site, Cd is bonded in a 11-coordinate geometry to two equivalent Sc and nine Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.03–3.36 Å. In the third Cd site, Cd is bonded in a 11-coordinate geometry to two equivalent Sc and nine Cd atoms. There are two shorter (2.97 Å) and one longer (3.16 Å) Cd–Cd bond lengths. In the fourth Cd site, Cd is bonded in a 12-coordinate geometry to two equivalent Sc and ten Cd atoms.