Crystallography Open Database

Information card for entry 7039820

Preview

Coordinates	7039820.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ga6 Pb5 S15 Zn
Calculated formula	Ga6 Pb5 S15 Zn
Title of publication	Pb5Ga6ZnS15: a noncentrosymmetric framework with chains of T2-supertetrahedra.
Authors of publication	Duan, Rui-Huan; Yu, Ju-Song; Lin, Hua; Zheng, Yu-Jun; Zhao, Hua-Jun; Huang-Fu, Shang-Xiong; Khan, Muhammad Ali; Chen, Ling; Wu, Li-Ming
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	31
Pages of publication	12288 - 12291
a	22.232 ± 0.009 Å
b	17.933 ± 0.007 Å
c	6.225 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2481.8 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	40
Hermann-Mauguin space group symbol	A m a 2
Hall space group symbol	A 2 -2a
Residual factor for all reflections	0.0583
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1184
Goodness-of-fit parameter for all reflections included in the refinement	0.722
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
185462 (current)	2016-08-07	cif/ Updating files of 7039820 Original log message: Adding full bibliography for 7039820.cif.	7039820.cif
184273	2016-07-07	cif/ Adding structures of 7039820 via cif-deposit CGI script.	7039820.cif