Crystallography Open Database

Information card for entry 1565004

Preview

Coordinates	1565004.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Hf0.48 La6 S14 Si2
Calculated formula	Hf0.486 La6 S14 Si2
Title of publication	Synthesis-Enabled Exploration of Chiral and Polar Multivalent Quaternary Sulfides
Authors of publication	Akopov, Georgiy; Hewage, Nethmi; Yox, Philip; Viswanathan , Gayatri; Lee, Shannon; Hulsebosch, Liam; Cady, Sarah; Paterson, Alexander L.; Perras, Frédéric A.; Xu, Wenqian; Wu, Kui; Mudryk, Yaroslav; Kovnir, Kirill
Journal of publication	Chemical Science
Year of publication	2021
a	10.3188 ± 0.0006 Å
b	10.3188 ± 0.0006 Å
c	5.7612 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	531.25 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0344
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0415
Weighted residual factors for all reflections included in the refinement	0.0433
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
270029 (current)	2021-10-20	cif/ Adding structures of 1564997, 1564998, 1564999, 1565000, 1565001, 1565002, 1565003, 1565004, 1565005, 1565006, 1565007, 1565008, 1565009, 1565010, 1565011, 1565012 via cif-deposit CGI script.	1565004.cif