Crystallography Open Database

Information card for entry 7720774

7720773 << 7720774 >> 7720775

Preview

Coordinates	7720774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	In0.56 Sb1.19 Se3 Sn0.38
Calculated formula	In0.5625 Sb1.1875 Se3 Sn0.375
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	34.018 ± 0.013 Å
b	3.9745 ± 0.0012 Å
c	16.823 ± 0.006 Å
α	90°
β	109.877 ± 0.01°
γ	90°
Cell volume	2139 ± 1.3 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	0.0938
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1265
Weighted residual factors for all reflections included in the refinement	0.1464
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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