Crystallography Open Database

Information card for entry 1565006

Preview

Coordinates	1565006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu0.99 La3 S7 Si
Calculated formula	Cu0.984 La3 S7 Si
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	10.3231 ± 0.0014 Å
b	10.3231 ± 0.0014 Å
c	5.7991 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	535.19 ± 0.13 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	0.0126
Residual factor for significantly intense reflections	0.0116
Weighted residual factors for significantly intense reflections	0.0226
Weighted residual factors for all reflections included in the refinement	0.0229
Goodness-of-fit parameter for all reflections included in the refinement	1.108
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.	1565006.cif