Crystallography Open Database

Information card for entry 4002910

Preview

Coordinates	4002910.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Bi3.48 In0.51 Mn2.03 Se8
Calculated formula	Bi3.48 In0.52 Mn2.03 Se8
Title of publication	Six Quaternary Chalcogenides of the Pavonite Homologous Series with Ultralow Lattice Thermal Conductivity
Authors of publication	Zhao, Jing; Hao, Shiqiang; Islam, Saiful M.; Chen, Haijie; Tan, Gangjian; Ma, Shulan; Wolverton, Christopher; Kanatzidis, Mercouri G.
Journal of publication	Chemistry of Materials
Year of publication	2019
Journal volume	31
Journal issue	9
Pages of publication	3430
a	13.279 Å
b	4.066 Å
c	14.988 Å
α	90°
β	115.43°
γ	90°
Cell volume	730.832 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0783
Residual factor for significantly intense reflections	0.0727
Weighted residual factors for significantly intense reflections	0.1804
Weighted residual factors for all reflections included in the refinement	0.1908
Goodness-of-fit parameter for all reflections included in the refinement	0.827
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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