Crystallography Open Database

Information card for entry 4507439

Preview

Coordinates	4507439.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu2 Nb8 O21
Calculated formula	Cu2 Nb8 O21
Title of publication	Metastable cu(i)-niobate semiconductor with a low-temperature, nanoparticle-mediated synthesis.
Authors of publication	Choi, Jonglak; King, Nacole; Maggard, Paul A.
Journal of publication	ACS nano
Year of publication	2013
Journal volume	7
Journal issue	2
Pages of publication	1699 - 1708
a	10.5325 ± 0.0002 Å
b	6.4306 ± 0.0001 Å
c	10.173 ± 0.0002 Å
α	90°
β	100.212 ± 0.001°
γ	90°
Cell volume	678.11 ± 0.02 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	3
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0693
Weighted residual factors for all reflections included in the refinement	0.0738
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
179610 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/74.	4507439.cif
75480	2013-03-10	cif/ Adding structures of 4507439 via cif-deposit CGI script.	4507439.cif