Crystallography Open Database

Information card for entry 4333991

Preview

Coordinates	4333991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 F3 K2.7 O15 Pb5.15
Calculated formula	C5 F2.98 K2.7 O15 Pb5.15
Title of publication	New Fluoride Carbonates: Centrosymmetric KPb2(CO3)2F and Noncentrosymmetric K2.70Pb5.15(CO3)5F3
Authors of publication	T. Thao Tran; P. Shiv Halasyamani
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	2466 - 2473
a	5.3123 ± 0.0005 Å
b	5.3123 ± 0.0005 Å
c	18.6203 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	455.07 ± 0.07 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	5
Space group number	187
Hermann-Mauguin space group symbol	P -6 m 2
Hall space group symbol	P -6 2
Residual factor for all reflections	0.021
Residual factor for significantly intense reflections	0.0207
Weighted residual factors for significantly intense reflections	0.0598
Weighted residual factors for all reflections included in the refinement	0.06
Goodness-of-fit parameter for all reflections included in the refinement	1.159
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.	4333991.cif
99800	2014-02-03	cif/ Adding structures of 4333991 via cif-deposit CGI script.	4333991.cif