Crystallography Open Database

Information card for entry 7704934

Preview

Coordinates	7704934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba F4 O2 W
Calculated formula	Ba F4 O2 W
Title of publication	BaWO<sub>2</sub>F<sub>4</sub>: a mixed anion X-ray scintillator with excellent photoluminescence quantum efficiency.
Authors of publication	Ayer, Gyanendra B.; Klepov, Vladislav V.; Smith, Mark D.; Hu, Ming; Yang, Zhonghua; Martin, Corey R.; Morrison, Gregory; Zur Loye, Hans-Conrad
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	31
Pages of publication	10734 - 10739
a	14.0464 ± 0.0008 Å
b	5.0318 ± 0.0003 Å
c	14.1297 ± 0.0008 Å
α	90°
β	92.811 ± 0.003°
γ	90°
Cell volume	997.47 ± 0.1 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0393
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0657
Weighted residual factors for all reflections included in the refinement	0.0694
Goodness-of-fit parameter for all reflections included in the refinement	1.092
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
256097 (current)	2020-09-06	cif/ Updating files of 7704934 Original log message: Adding full bibliography for 7704934.cif.	7704934.cif
254570	2020-07-25	cif/ Adding structures of 7704934 via cif-deposit CGI script.	7704934.cif