Crystal structure of the clathrate Sr8Ga16-xSi30+x,x = 2.18, 4.05

W. Carrillo-Cabrera, R. Cardoso Gil, Yu. Grin
2002 Zeitschrift für Kristallographie - New Crystal Structures  
The unit cell parameters were determined from the least-squares refinement of the 2d values of reflections in the range 16° < 20 < 100° [X-ray powder pattern, A(Cu Kai) = 1.540598 Â; standards: LaBó, a=4.15695(6) Â, for 1 and Ge, a=5.65751(9) À, for 2]. For λ:=2.18, the Sr(2) atom at 6d site (in the larger cage) has a more flattened displacement ellipsoid than that for*=4.05, and was refined in a 24k split position. The existence of vacancies in the E46 [E=(Ga,Si)] covalent network was tested
more » ... indications for vacancies at the E positions were found: the magnitud of the displacement factors is relative small and die anisotropy of the displacement ellipsoids is weak.
doi:10.1524/ncrs.2002.217.1.179 fatcat:dvqk43sy6bdjlkmd3whgcaxwou