Materials Data on K3Cd16 by Materials Project

Abstract

K3Cd16 crystallizes in the tetragonal P4/nnc space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to two equivalent K and sixteen Cd atoms. Both K–K bond lengths are 3.91 Å. There are eight shorter (3.73 Å) and eight longer (4.15 Å) K–Cd bond lengths. In the second K site, K is bonded in a 12-coordinate geometry to two K and twelve Cd atoms. The K–K bond length is 3.75 Å. There are a spread of K–Cd bond distances ranging from 3.73–3.94 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a 11-coordinate geometry to three K and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.89–3.20 Å. In the second Cd site, Cd is bonded in a 10-coordinate geometry to two K and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.11–3.17 Å.