Crystallography Open Database

Information card for entry 4003829

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Coordinates	4003829.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tetralithium cadmium ditin heptasulfide
Formula	Cd Li4 S7 Sn2
Calculated formula	Cd Li4 S7 Sn2
Title of publication	Phase Matching, Strong Frequency Doubling, and Outstanding Laser-Induced Damage Threshold in the Biaxial, Quaternary Diamond-like Semiconductor Li4CdSn2S7
Authors of publication	Zhang, Jian-Han; Stoyko, Stanislav S.; Craig, Andrew J.; Grima, Pedro; Kotchey, Joshua W.; Jang, Joon I.; Aitken, Jennifer A.
Journal of publication	Chemistry of Materials
Year of publication	2020
a	17.44296 ± 0.00016 Å
b	6.93532 ± 0.00007 Å
c	10.32709 ± 0.0001 Å
α	90°
β	93.9042 ± 0.0005°
γ	90°
Cell volume	1246.39 ± 0.02 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0145
Residual factor for significantly intense reflections	0.0142
Weighted residual factors for significantly intense reflections	0.0385
Weighted residual factors for all reflections included in the refinement	0.0386
Goodness-of-fit parameter for all reflections included in the refinement	1.126
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
259262 (current)	2020-11-27	cif/ Adding structures of 4003829 via cif-deposit CGI script.	4003829.cif