Crystallography Open Database

Information card for entry 1561908

1561907 << 1561908 >> 1561909

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Coordinates	1561908.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Pr3 S7 Sb0.33 Si
Calculated formula	Pr3 S7 Sb0.33 Si
Title of publication	Syntheses, crystal structures, and NLO properties of the quaternary sulfides RE3Sb0.33SiS7 (RE=La, Pr)
Authors of publication	Zhao, Hua-Jun
Journal of publication	Journal of Solid State Chemistry
Year of publication	2015
Journal volume	227
Pages of publication	5 - 9
a	10.224 ± 0.004 Å
b	10.224 ± 0.004 Å
c	5.711 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	517 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0211
Residual factor for significantly intense reflections	0.0192
Weighted residual factors for significantly intense reflections	0.0435
Weighted residual factors for all reflections included in the refinement	0.0566
Goodness-of-fit parameter for all reflections included in the refinement	1.248
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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