Crystallography Open Database

Information card for entry 7224572

Preview

Coordinates	7224572.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Nb2.667 O8 Zn1.333
Calculated formula	Nb2.6668 O8 Zn1.3332
Title of publication	Structure modulation, band structure, density of states and luminescent properties of columbite-type ZnNb2O6
Authors of publication	Zhao, Dan; Ma, Fa-Xue; Zhang, Rui-Juan; Li, Fei-Fei; Zhang, Lei; Yang, Juan; Fan, Yun-Chang; Xin, Xia
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	16
Pages of publication	2929
a	4.7283 ± 0.0004 Å
b	5.7208 ± 0.0004 Å
c	5.0331 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	136.14 ± 0.02 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0188
Residual factor for significantly intense reflections	0.0151
Weighted residual factors for significantly intense reflections	0.0136
Weighted residual factors for all reflections included in the refinement	0.015
Goodness-of-fit parameter for significantly intense reflections	1.18
Goodness-of-fit parameter for all reflections included in the refinement	1.17
Diffraction radiation probe	x-ray
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
182652 (current)	2016-05-06	cif/ Updating files of 7224572 Original log message: Adding full bibliography for 7224572.cif.	7224572.cif
178132	2016-03-11	cif/ Adding structures of 7224572 via cif-deposit CGI script.	7224572.cif