Crystallography Open Database

Information card for entry 4336644

Preview

Coordinates	4336644.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Br0.17 I1.67 O3.17 Pb3.83
Calculated formula	Br0.166667 I1.66667 O3.16667 Pb3.83333
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	11.0697 ± 0.0011 Å
b	15.5603 ± 0.0014 Å
c	16.1335 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	2779 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	31
Hermann-Mauguin space group symbol	P m n 21
Hall space group symbol	P 2ac -2
Residual factor for all reflections	0.0455
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0871
Weighted residual factors for all reflections included in the refinement	0.0915
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
179469 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/66.	4336644.cif
102651	2014-02-21	cif/ Adding structures of 4336644 via cif-deposit CGI script.	4336644.cif