Crystallography Open Database

Information card for entry 7713150

Preview

Coordinates	7713150.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B3 K P2 S10
Calculated formula	B3 K P2 S10
Title of publication	From BPS4 to AB3P2S10 (A = Na, K): Cations Inducing Dimension Reduction and Bandgap Enlargement
Authors of publication	Huang, Yi; Chu, Dongdong; Yun, Yihan; Xie, Wenlong; Li, Guangmao; Zhang, Yong
Journal of publication	Dalton Transactions
Year of publication	2023
a	13.0262 ± 0.0008 Å
b	13.0262 ± 0.0008 Å
c	16.5387 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2806.3 ± 0.4 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.071
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1391
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7713150.html