Crystallography Open Database

Information card for entry 1565002

Preview

Coordinates	1565002.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Fe1.05 La6 S14 Si2
Calculated formula	Fe1.048 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	10.2991 ± 0.0003 Å
b	10.2991 ± 0.0003 Å
c	5.7389 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	527.18 ± 0.04 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	0.0239
Residual factor for significantly intense reflections	0.0188
Weighted residual factors for significantly intense reflections	0.0355
Weighted residual factors for all reflections included in the refinement	0.0364
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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.	1565002.cif