Crystallography Open Database

Information card for entry 4336645

Preview

Coordinates	4336645.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl0.5 O3 Pb2.75 Si0.25
Calculated formula	Cl0.5 O3 Pb2.75 Si0.25
Title of publication	Synthesis and Modular Structural Architectures of Mineralogically Inspired Novel Complex Pb Oxyhalides
Authors of publication	Oleg I. Siidra; Diana O. Zinyakhina; Anastasiya I. Zadoya; Sergey V. Krivovichev; Rick W. Turner
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	12799 - 12805
a	3.889 ± 0.0007 Å
b	3.889 ± 0.0007 Å
c	32.56 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	492.45 ± 0.15 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.0541
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1391
Weighted residual factors for all reflections included in the refinement	0.1418
Goodness-of-fit parameter for all reflections included in the refinement	1.177
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4336645.cif
102652	2014-02-21	cif/ Adding structures of 4336645 via cif-deposit CGI script.	4336645.cif