Crystallography Open Database

Information card for entry 4119043

4119042 << 4119043 >> 4119044

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Coordinates	4119043.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs4 Ge P4 Se12
Calculated formula	Cs4 Ge P4 Se12
Title of publication	Molecular Germanium Selenophosphate Salts: Phase-Change Properties and Strong Second Harmonic Generation
Authors of publication	Collin D. Morris; In Chung; Sungoh Park; Connor M. Harrison; Daniel J. Clark; Joon I. Jang; Mercouri G. Kanatzidis
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	20733 - 20744
a	14.3268 ± 0.0007 Å
b	7.6202 ± 0.0003 Å
c	24.6301 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2688.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0853
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.0703
Weighted residual factors for all reflections included in the refinement	0.0767
Goodness-of-fit parameter for all reflections included in the refinement	0.998
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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