Materials Data on EuCdAu5 by Materials Project

Abstract

EuAu5Cd crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Eu3+ is bonded to twelve Au1- atoms to form a mixture of distorted edge and face-sharing EuAu12 cuboctahedra. There are four shorter (3.16 Å) and eight longer (3.42 Å) Eu–Au bond lengths. There are six inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 11-coordinate geometry to three equivalent Eu3+, six Au1-, and two equivalent Cd2+ atoms. There are a spread of Au–Au bond distances ranging from 2.84–3.01 Å. Both Au–Cd bond lengths are 2.99 Å. In the second Au1- site, Au1- is bonded in a 11-coordinate geometry to three equivalent Eu3+, six Au1-, and two equivalent Cd2+ atoms. There are a spread of Au–Au bond distances ranging from 2.84–3.01 Å. Both Au–Cd bond lengths are 2.99 Å. In the third Au1- site, Au1- is bonded in a 11-coordinate geometry to three equivalent Eu3+, six Au1-, and two equivalent Cd2+ atoms. There are two shorter (2.99 Å) and two longer (3.01 Å) Au–Au bond lengths. Both Au–Cd bond lengths are 2.99 Å. In the fourth Au1- site, Au1- is bonded in a linear geometry to eight Au1- and two equivalent Cd2+ atoms. Both Au–Au bond lengths are 2.99 Å. Both Au–Cd bond lengths are 2.78 Å. In the fifth Au1- site, Au1- is bonded in a 11-coordinate geometry to three equivalent Eu3+, six Au1-, and two equivalent Cd2+ atoms. Both Au–Au bond lengths are 2.84 Å. Both Au–Cd bond lengths are 2.99 Å. In the sixth Au1- site, Au1- is bonded in a 11-coordinate geometry to three equivalent Eu3+, six Au1-, and two equivalent Cd2+ atoms. Both Au–Cd bond lengths are 2.99 Å. Cd2+ is bonded in a distorted q6 geometry to ten Au1- atoms.