Crystallography Open Database

Information card for entry 2105813

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Structure parameters

Formula	Cu2 S4 Sn Zn
Calculated formula	Cu2 S4 Sn Zn
Title of publication	X-ray resonant single-crystal diffraction technique, a powerful tool to investigate the kesterite structure of the photovoltaic Cu~2~ZnSnS~4~ compound
Authors of publication	Lafond, Alain; Choubrac, Léo; Guillot-Deudon, Catherine; Fertey, Pierre; Evain, Michel; Jobic, Stéphane
Journal of publication	Acta Crystallographica Section B
Year of publication	2014
Journal volume	70
Journal issue	2
Pages of publication	390 - 394
a	5.4353 ± 0.0001 Å
b	5.4353 ± 0.0001 Å
c	10.8464 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	320.43 ± 0.012 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	121
Hermann-Mauguin space group symbol	I -4 2 m
Hall space group symbol	I -4 2
Residual factor for all reflections	0.0294
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for all reflections	0.0741
Weighted residual factors for significantly intense reflections	0.0741
Goodness-of-fit parameter for all reflections	1.6
Diffraction radiation wavelength	0.66842 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181877 (current)	2016-04-06	hkl/2/10/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/10/58.	2105813.cif 2105813.hkl
180916	2016-04-02	hkl/2/10/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10/58.	2105813.cif 2105813.hkl
176435	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	2105813.cif 2105813.hkl
108737	2014-04-03	cif/ hkl/ Adding structures of 2105813 via cif-deposit CGI script.	2105813.cif 2105813.hkl