Crystallography Open Database

Information card for entry 1574428

Preview

Coordinates	1574428.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	K5ClIn14Se23
Formula	Cl In14 K5 Se23
Calculated formula	Cl In14 K5 Se23
Title of publication	Non-centrosymmetric Structures Designed Rationally by “Dimensionality Addition” Strategy toward Promising Nonlinear Optical Family [A-X][In-Se] (A = K/Ba, Rb/Ba; X = Cl, Br)
Authors of publication	Pei, Shao-Min; Wu, Fan; Zhang, Ming-Shu; Chen, Wen-Fa; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong
Journal of publication	Materials Horizons
Year of publication	2025
a	9.0671 ± 0.0002 Å
b	12.1162 ± 0.0003 Å
c	12.1238 ± 0.0003 Å
α	93.193 ± 0.002°
β	94.436 ± 0.002°
γ	98.838 ± 0.002°
Cell volume	1309.06 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0341
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0576
Weighted residual factors for all reflections included in the refinement	0.06
Goodness-of-fit parameter for all reflections included in the refinement	0.888
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
299343 (current)	2025-04-22	cif/ Adding structures of 1574428, 1574429, 1574430, 1574431, 1574432, 1574433 via cif-deposit CGI script.	1574428.cif