Crystallography Open Database

Information card for entry 4114760

Preview

Coordinates	4114760.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba O7 Te3
Calculated formula	Ba O7 Te3
Title of publication	Lone-Pair Self-Containment in Tellurite Tubes: Hydrothermal Syntheses and Structures of BaTe3O7 and BaTe4O9
Authors of publication	Magnus G. Johnston; William T. A. Harrison
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	4576 - 4577
a	10.2765 ± 0.0006 Å
b	5.251 ± 0.0003 Å
c	13.5499 ± 0.0008 Å
α	90°
β	98.98 ± 0.001°
γ	90°
Cell volume	722.22 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0371
Residual factor for significantly intense reflections	0.0299
Weighted residual factors for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.0709
Goodness-of-fit parameter for all reflections included in the refinement	0.982
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
178918 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/47.	4114760.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114760.cif
68122	2012-10-17	cif/ Adding structures of 4114760 via cif-deposit CGI script.	4114760.cif