Crystallography Open Database

Information card for entry 4337510

Preview

Coordinates	4337510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Br2 F27 K10 Nb6 O6
Calculated formula	Br2.001 F27 K10 Nb6 O6
Title of publication	Polar alignment of Λ-shaped basic building units within transition metal oxide fluoride materials.
Authors of publication	Holland, Michael; Donakowski, Martin D.; Pozzi, Eric A.; Rasmussen, Andrew M.; Tran, Thanh Thao; Pease-Dodson, Shannon E; Halasyamani, P. Shiv; Seideman, Tamar; Van Duyne, Richard P.; Poeppelmeier, Kenneth R.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	1
Pages of publication	221 - 228
a	20.0779 ± 0.0006 Å
b	7.7588 ± 0.0002 Å
c	11.4828 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1788.8 ± 0.09 Å³
Cell temperature	99.99 K
Ambient diffraction temperature	99.99 K
Number of distinct elements	5
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.0326
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0835
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.174
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
179478 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/75.	4337510.cif
106431	2014-03-15	cif/ Adding structures of 4337510 via cif-deposit CGI script.	4337510.cif