Crystallography Open Database

Information card for entry 1570589

Preview

Coordinates	1570589.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cesium tetraperoxovanadate
Chemical name	Cesium tetraperoxovanadate trihydrate
Formula	Cs3 O11 V
Calculated formula	Cs3 O11 V
Title of publication	Implementing vanadium peroxides as direct air carbon capture materials.
Authors of publication	Ribó, Eduard Garrido; Mao, Zhiwei; Hirschi, Jacob S.; Linsday, Taylor; Bach, Karlie; Walter, Eric D.; Simons, Casey R.; Zuehlsdorff, Tim J.; Nyman, May
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	5
Pages of publication	1700 - 1713
a	8.4013 ± 0.0003 Å
b	12.0178 ± 0.0004 Å
c	11.5178 ± 0.0005 Å
α	90°
β	91.359 ± 0.004°
γ	90°
Cell volume	1162.57 ± 0.08 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0419
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation probe	x-ray
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
289399 (current)	2024-02-04	cif/ Updating files of 1570589, 1570590 Original log message: Adding full bibliography for 1570589--1570590.cif.	1570589.cif
288486	2023-12-22	cif/ Adding structures of 1570589, 1570590 via cif-deposit CGI script.	1570589.cif