Crystallography Open Database

Information card for entry 2022908

2022907 << 2022908 >> 2022909

Preview

Structure parameters

Common name	Dicesium gadolinium hexaniobium pentadecachloride trioxide
Formula	Cl15 Cs2 Gd Nb6 O3
Calculated formula	Cl15 Cs2 Gd Nb6 O3
Title of publication	Crystal structure of Cs<sub>2</sub>GdNb<sub>6</sub>Cl<sub>15</sub>O<sub>3</sub> in the structural evolution of niobium oxychlorides with octa-hedral Nb<sub>6</sub>-cluster units.
Authors of publication	Silaban, Saronom; Haryani, Maefa Eka; Gulo, Fakhili; Perrin, Christiane
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2023
Journal volume	79
Journal issue	Pt 11
Pages of publication	1008 - 1011
a	9.1318 ± 0.0001 Å
b	9.1318 ± 0.0001 Å
c	17.1558 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	1238.95 ± 0.02 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.0347
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0652
Weighted residual factors for all reflections included in the refinement	0.0677
Goodness-of-fit parameter for all reflections included in the refinement	1.149
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
288139 (current)	2023-12-07	cif/ Updating files of 2022908 Original log message: Adding full bibliography for 2022908.cif.	2022908.cif 2022908.hkl
286890	2023-10-11	cif/ hkl/ Adding structures of 2022908 via cif-deposit CGI script.	2022908.cif 2022908.hkl