Materials Data on CsAuBr3 by Materials Project

Kristin Persson
CsAuBr3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs1+ is bonded to twelve Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with eight AuBr6 octahedra. There are four shorter (3.99 Å) and eight longer (4.07 Å) Cs–Br bond lengths. There are two inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded to six Br1- atoms...
This data repository is not currently reporting usage information. For information on how your repository can submit usage information, please see our documentation.