Crystallography Open Database

Information card for entry 4330744

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Coordinates	4330744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba3 In Pr S6
Calculated formula	Ba3 In0.981 Pr0.9858 S6
Title of publication	Ba3LnInS6 (Ln = Pr, Sm, Gd, Yb) and Ba2LnGaS5 (Ln = Pr, Nd): Syntheses, Structures, and Magnetic and Optical Properties
Authors of publication	Kai Feng; Youguo Shi; Wenlong Yin; Wendong Wang; Jiyong Yao; Yicheng Wu
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	11144 - 11149
a	12.1196 ± 0.0002 Å
b	12.1196 ± 0.0002 Å
c	13.9803 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	1778.38 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0126
Residual factor for significantly intense reflections	0.0122
Weighted residual factors for significantly intense reflections	0.0293
Weighted residual factors for all reflections included in the refinement	0.0293
Goodness-of-fit parameter for all reflections included in the refinement	1.563
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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