Crystallography Open Database

Information card for entry 4001454

Preview

Coordinates	4001454.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ammonium tungsten tellurite
Formula	H8 N2 O8 Te2 W
Calculated formula	N2 O8 Te2 W
Title of publication	(NH4)2Te2WO8: A New Polar Oxide with Second-Harmonic Generating, Ferroelectric, and Pyroelectric Properties
Authors of publication	Kim, Jun-Ho; Baek, Jaewook; Halasyamani, P. Shiv
Journal of publication	Chemistry of Materials
Year of publication	2007
Journal volume	19
Journal issue	23
Pages of publication	5637
a	6.9716 ± 0.0009 Å
b	7.0279 ± 0.0009 Å
c	9.4593 ± 0.0013 Å
α	90°
β	99.188 ± 0.002°
γ	90°
Cell volume	457.52 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0359
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0597
Weighted residual factors for all reflections included in the refinement	0.0607
Goodness-of-fit parameter for all reflections included in the refinement	0.922
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
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.	4001454.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001454.cif
45271	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4001454 via cif-deposit CGI script.	4001454.cif