Crystallography Open Database

Information card for entry 7718474

Preview

Coordinates	7718474.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al Ba F5
Calculated formula	Al Ba F5
Title of publication	Coordinated assembly of alkali and alkaline earth metals with the perfluorinated [AlF<sub>6</sub>] group to design deep-ultraviolet zero-order waveplate materials.
Authors of publication	Liu, Shaohua; Zhang, Lili; Li, Ke; Ma, Xiaotian; Long, Xifa; Yang, Yun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	18
Pages of publication	7214 - 7220
a	14.4398 ± 0.0013 Å
b	14.4398 ± 0.0013 Å
c	7.2843 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1518.8 ± 0.3 Å³
Cell temperature	301 K
Ambient diffraction temperature	301 K
Number of distinct elements	3
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.0587
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.132
Weighted residual factors for all reflections included in the refinement	0.1355
Goodness-of-fit parameter for all reflections included in the refinement	1.251
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
300927 (current)	2025-07-06	cif/ Updating files of 7718472, 7718473, 7718474 Original log message: Adding full bibliography for 7718472--7718474.cif.	7718474.cif
298679	2025-04-02	cif/ Adding structures of 7718472, 7718473, 7718474 via cif-deposit CGI script.	7718474.cif