Crystallography Open Database

Information card for entry 4302813

Preview

Coordinates	4302813.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Al0.33Sm3SiS7
Chemical name	Al0.33Sm3SiS7
Formula	Al0.33 S7 Si Sm3
Calculated formula	Al0.33 S7 Si Sm3
Title of publication	A Series of New Infrared NLO Semiconductors, ZnY6Si2S14, AlxDy3(SiyAl1-y)S7, and Al0.33Sm3SiS7
Authors of publication	Sheng-Ping Guo; Guo-Cong Guo; Ming-Sheng Wang; Jian-Ping Zou; Gang Xu; Guo-Jian Wang; Xi-Fa Long; Jin-Shun Huang
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	7059 - 7065
a	9.9791 ± 0.001 Å
b	9.9791 ± 0.001 Å
c	5.6793 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	489.79 ± 0.12 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	0.0255
Residual factor for significantly intense reflections	0.0218
Weighted residual factors for significantly intense reflections	0.0493
Weighted residual factors for all reflections included in the refinement	0.0508
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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