Crystallography Open Database

Information card for entry 2312275

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Structure parameters

Common name	Copper cadmium silicon sulfide
Chemical name	Copper cadmium silicon sulfide
Formula	Cd Cu2 S4 Si
Calculated formula	Cd Cu2 S4 Si
Title of publication	Accurate X-ray diffraction data required for proper evaluation of bond valence sums and global instability indexes: redetermination of the crystal structures of diamond-like Cu<sub>2</sub>CdSiS<sub>4</sub> and Cu<sub>2</sub>HgSnS<sub>4</sub> as a case study.
Authors of publication	Treece, Megan M.; Kelly, Jordan C.; Rosello, Kate E.; Craig, Andrew J.; Aitken, Jennifer A.
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2023
Journal volume	79
Journal issue	9
a	7.60853 ± 0.00011 Å
b	6.48071 ± 0.00009 Å
c	6.24923 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	308.141 ± 0.008 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	4
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.0221
Residual factor for significantly intense reflections	0.0221
Weighted residual factors for significantly intense reflections	0.047
Weighted residual factors for all reflections included in the refinement	0.047
Goodness-of-fit parameter for all reflections included in the refinement	1.269
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
285784 (current)	2023-08-16	cif/ hkl/ Adding structures of 2312275, 2312276 via cif-deposit CGI script.	2312275.cif 2312275.hkl