Crystallography Open Database

Information card for entry 2221283

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Structure parameters

Chemical name	indium pentadecamolybdenum nonadeca(sulfide/selenide)
Formula	In4.07 Mo15 S11.87 Se7.13
Calculated formula	In4.076 Mo15 S11.872 Se7.128
Title of publication	The Chevrel phase In~4.07~Mo~15~S~11.87~Se~7.13~ with mixed chalcogenide occupancy
Authors of publication	Lee, You-Soon; Kang, Sung Kwon
Journal of publication	Acta Crystallographica Section E
Year of publication	2009
Journal volume	65
Journal issue	4
Pages of publication	i26
a	9.5974 ± 0.0002 Å
b	9.5974 ± 0.0002 Å
c	19.1668 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	1528.93 ± 0.06 Å³
Cell temperature	295 ± 2 K
Number of distinct elements	4
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for all reflections included in the refinement	0.09
Goodness-of-fit parameter for all reflections included in the refinement	1.414
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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