Crystallography Open Database

Information card for entry 7720771

7720770 << 7720771 >> 7720772

Preview

Coordinates	7720771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	In2.5 Pb1.5 Sb4.5 Se12
Calculated formula	In2.5 Pb1.5 Sb4.5 Se12
Title of publication	Synthesis, Crystal Chemistry, and Semiconducting Properties of A3B14Se24 (A = Sn/Pb; B = In/Sb/Bi) with Step-Layered NaCl(111)-Type Slabs Interleaved by NaCl(100)-Type Ribbons
Authors of publication	Chen, Guan-Ruei; Xiaoa, Wan-Zhen; Huang, Yen-Han; Yang, Chia-Wei; Lee, Chi-Shen
Journal of publication	Dalton Transactions
Year of publication	2026
a	34.258 ± 0.005 Å
b	4.0114 ± 0.0006 Å
c	16.939 ± 0.003 Å
α	90°
β	109.615 ± 0.007°
γ	90°
Cell volume	2192.7 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.058
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.0794
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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