Crystallography Open Database

Information card for entry 7132371

Preview

Coordinates	7132371.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B2 Br Rb S6 Sr3
Calculated formula	B2 Br Rb S6 Sr3
Title of publication	[RbSr<sub>3</sub>X][(BS<sub>3</sub>)<sub>2</sub>] (X = Cl, Br): two salt-inclusion thioborates with large birefringence and structure transformation from centrosymmetric to asymmetric.
Authors of publication	Yun, Yihan; Hou, Xueling; Yang, Zhihua; Li, Guangmao; Pan, Shilie
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2023
Journal volume	60
Journal issue	1
Pages of publication	118 - 121
a	15.044 ± 0.004 Å
b	10.978 ± 0.003 Å
c	7.8706 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	1299.9 ± 0.6 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	5
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0223
Residual factor for significantly intense reflections	0.0222
Weighted residual factors for significantly intense reflections	0.0513
Weighted residual factors for all reflections included in the refinement	0.0514
Goodness-of-fit parameter for all reflections included in the refinement	1.207
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
289326 (current)	2024-02-04	cif/ Updating files of 7132370, 7132371 Original log message: Adding full bibliography for 7132370--7132371.cif.	7132371.cif
287686	2023-11-19	cif/ Adding structures of 7132370, 7132371 via cif-deposit CGI script.	7132371.cif