Crystallography Open Database

Information card for entry 4113101

Preview

Coordinates	4113101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba Pt
Calculated formula	Ba Pt
Title of publication	Covalently Bonded [Pt]-Chains in BaPt: Extension of the Zintl-Klemm Concept to Anionic Transition Metals?
Authors of publication	Andrey Karpov; Jürgen Nuss; Ulrich Wedig; Martin Jansen
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	14123 - 14128
a	5.057 ± 0.002 Å
b	5.057 ± 0.002 Å
c	5.42 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	120.04 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	2
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.0319
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0787
Weighted residual factors for all reflections included in the refinement	0.0794
Goodness-of-fit parameter for all reflections included in the refinement	1.372
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4113101.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113101.cif
65522	2012-09-05	cif/ Adding structures of 4113101 via cif-deposit CGI script.	4113101.cif