Crystallography Open Database

Information card for entry 4115497

Preview

Coordinates	4115497.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Te Zr
Calculated formula	Te Zr
Title of publication	Structure, Properties, and Bonding of ZrTe (MnP Type), a Low-Symmetry, High-Temperature Modification of ZrTe (WC Type)
Authors of publication	Gissur Örlygsson; Bernd Harbrecht
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	4168 - 4173
a	7.3915 ± 0.0015 Å
b	3.7723 ± 0.0008 Å
c	6.9434 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	193.6 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	2
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0215
Residual factor for significantly intense reflections	0.0212
Weighted residual factors for significantly intense reflections	0.0519
Weighted residual factors for all reflections included in the refinement	0.0519
Goodness-of-fit parameter for all reflections included in the refinement	1.208
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
178925 (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 4/11/54.	4115497.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115497.cif
69051	2012-12-02	cif/ Adding structures of 4115497 via cif-deposit CGI script.	4115497.cif