Crystallography Open Database

Information card for entry 7233119

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Coordinates	7233119.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu3 P S1.89 Se2.11
Calculated formula	Cu3 P S1.896 Se2.104
Title of publication	Earth-abundant Cu-based chalcogenide semiconductors as photovoltaic absorbers
Authors of publication	Vorranutch Itthibenchapong; Robert S. Kokenyesi; Andrew J. Ritenour; Lev N. Zakharov; Shannon W. Boettcher; John F. Wagerd; Douglas A. Keszler
Journal of publication	Journal of Materials Chemistry C
Year of publication	2013
Journal volume	1
Pages of publication	657 - 652
a	7.5034 ± 0.0005 Å
b	6.4951 ± 0.0005 Å
c	6.2174 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	303.01 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0252
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.0574
Weighted residual factors for all reflections included in the refinement	0.0582
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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