Crystallography Open Database

Information card for entry 2102908

Preview

Coordinates	2102908.cif
Original IUCr paper	HTML

Structure parameters

Formula	Ba6 Br Co5 O14
Calculated formula	Ba5.9998 Br1.01 Co5 O13.9998
Title of publication	New oxybromide cobaltites with layered perovskite-related structures: 18<i>R</i>-Ba~6~Co~5~BrO~14~ and 14<i>H</i>-Ba~7~Co~6~BrO~17~
Authors of publication	Kauffmann, Matthieu; Roussel, Pascal
Journal of publication	Acta Crystallographica Section B
Year of publication	2007
Journal volume	63
Journal issue	4
Pages of publication	589 - 596
a	5.6578 ± 0.0003 Å
b	5.6578 ± 0.0003 Å
c	43.166 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	1196.65 ± 0.14 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0342
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0468
Weighted residual factors for all reflections included in the refinement	0.047
Goodness-of-fit parameter for all reflections included in the refinement	3.86
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2102908.html