Materials Data on EuAu3 by Materials Project

Abstract

EuAu3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu3+ is bonded to twelve Au1- atoms to form distorted EuAu12 cuboctahedra that share corners with four equivalent EuAu12 cuboctahedra, corners with eight equivalent AuEu4Au8 cuboctahedra, corners with sixteen equivalent AuEu4Au4 tetrahedra, edges with eight equivalent EuAu12 cuboctahedra, edges with eight equivalent AuEu4Au4 tetrahedra, faces with four equivalent EuAu12 cuboctahedra, and faces with six equivalent AuEu4Au8 cuboctahedra. There are eight shorter (3.07 Å) and four longer (3.39 Å) Eu–Au bond lengths. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to four equivalent Eu3+ and four equivalent Au1- atoms to form distorted AuEu4Au4 tetrahedra that share corners with eight equivalent EuAu12 cuboctahedra, corners with eight equivalent AuEu4Au8 cuboctahedra, corners with eight equivalent AuEu4Au4 tetrahedra, edges with four equivalent EuAu12 cuboctahedra, edges with four equivalent AuEu4Au8 cuboctahedra, edges with twelve equivalent AuEu4Au4 tetrahedra, and faces with six equivalent AuEu4Au4 tetrahedra. All Au–Au bond lengths are 3.07 Å. In the second Au1- site, Au1- is bonded to four equivalent Eu3+ and eight equivalent Au1- atoms to form distorted AuEu4Au8 cuboctahedra that share corners with four equivalent AuEu4Au8 cuboctahedra, corners with eight equivalent EuAu12 cuboctahedra, corners with sixteen equivalent AuEu4Au4 tetrahedra, edges with eight equivalent AuEu4Au8 cuboctahedra, edges with eight equivalent AuEu4Au4 tetrahedra, faces with four equivalent AuEu4Au8 cuboctahedra, and faces with six equivalent EuAu12 cuboctahedra.