Crystallography Open Database

Information card for entry 4337517

Preview

Coordinates	4337517.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl F83 K30 O18 V18
Calculated formula	Cl F83 K30 O18 V18
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	19.2623 ± 0.0006 Å
b	19.2623 ± 0.0006 Å
c	7.7318 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	2484.43 ± 0.13 Å³
Cell temperature	100 K
Ambient diffraction temperature	100.07 K
Number of distinct elements	5
Space group number	164
Hermann-Mauguin space group symbol	P -3 m 1
Hall space group symbol	-P 3 2"
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1754
Weighted residual factors for all reflections included in the refinement	0.1774
Goodness-of-fit parameter for all reflections included in the refinement	1.132
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.	4337517.cif
106445	2014-03-15	cif/ Adding structures of 4337517 via cif-deposit CGI script.	4337517.cif