Crystallography Open Database

Information card for entry 4312729

Preview

Coordinates	4312729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Gd2.22 Ge1.11 Si0.67
Calculated formula	Gd2.22222 Ge1.58311 Si0.195556
Title of publication	"Nanoscale Zippers" in Gd5(SixGe1-x)4: Symmetry and Chemical Influences on the Nanoscale Zipping Action
Authors of publication	Wonyoung Choe; A. O. Pecharsky; Michael Wörle; Gordon J. Miller
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	8223 - 8229
a	7.6891 ± 0.0011 Å
b	14.8226 ± 0.0017 Å
c	7.7773 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	886.4 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.0641
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.2042
Weighted residual factors for all reflections included in the refinement	0.2077
Goodness-of-fit parameter for all reflections included in the refinement	1.496
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
179166 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/27.	4312729.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4312729.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4312729.cif
5743	2011-01-06	../uploads/cif-deposit/cod/cif Adding structures of 4312729 via cif-deposit CGI script.	4312729.cif