The clathrate Ba8CuxGe46−x−y□y: Phase equilibria and crystal structure

Phase relations at 700 °C, 800 °C and solidus temperatures have been derived for the clathrate system Ba8CuxGe46−x−y□y via X-ray single crystal and powder diffractometry combined with electron probe micro analysis and differential thermal analysis. The ternary clathrate phase derives from binary Ba8Ge43□3 and extends up to x  =6. Structure investigations define cubic primitive symmetry with the space group type Pm3¯n consistent with a clathrate type I structure throughout the entire homogeneity region 0

Graphical AbstractCages and atom thermal displacement parameters in clathrate Ba8CuxGe46-x−y□y for Ba8Cu2Ge42□2 and Ba8Cu6Ge40.Figure optionsDownload full-size imageDownload as PowerPoint slide