Crystallography Open Database

Information card for entry 7036312

Preview

Coordinates	7036312.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Cesium Sodium Thallium Germanium
Formula	Cs4 Ge68 Na5.12 Tl2.88
Calculated formula	Cs4 Ge68 Na5.1192 Tl2.8808
Title of publication	Structure and properties of type-II clathrate Cs8Na16-xTlxGe136.
Authors of publication	Zhang, Hui; Li, Wei; Xu, Xuguang; Mu, Gang; Xie, Xiaoming; Huang, Fuqiang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	38
Pages of publication	16937 - 16945
a	15.5227 ± 0.001 Å
b	15.5227 ± 0.001 Å
c	15.5227 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	3740.3 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :2
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.0264
Residual factor for significantly intense reflections	0.0237
Weighted residual factors for significantly intense reflections	0.0539
Weighted residual factors for all reflections included in the refinement	0.0547
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	0.56084 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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