Crystallography Open Database

Information card for entry 4001054

Preview

Coordinates	4001054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba6 H Nb3 O14
Calculated formula	Ba6 H Nb3 O14
Title of publication	Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Nb2O9
Authors of publication	Ling, Chris D.; Avdeev, Maxim; Kutteh, Ramzi; Kharton, Vladislav V.; Yaremchenko, Aleksey A.; Fialkova, Svitlana; Sharma, Neeraj; Macquart, René B; Hoelzel, Markus; Gutmann, Matthias
Journal of publication	Chemistry of Materials
Year of publication	2009
Journal volume	21
Journal issue	16
Pages of publication	3853
a	6.0327 ± 0.0015 Å
b	12.4065 ± 0.0027 Å
c	10.431 ± 0.0032 Å
α	90°
β	90°
γ	90°
Cell volume	780.7 ± 0.4 Å³
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
RFsqd	0.08466
Goodness-of-fit parameter for all reflections	2.83
Method of determination	powder diffraction
Diffraction radiation probe	neutron
Diffraction radiation wavelength	1.621 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001054.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001054.cif
38945	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4001054 via cif-deposit CGI script.	4001054.cif