Crystallography Open Database

Information card for entry 1548781

Preview

Coordinates	1548781.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F2 N Na0.985 O3 Pb1.015
Calculated formula	F2 N Na0.985 O3 Pb1.015
Title of publication	One disorder out of two orders: Synthesis and crystal structures of cation-ordered PbNaF2NO3, anion-ordered Pb2OFNO3, and continuous disordered (Pb, Na)2(O,F)2-deltaNO3 solid solution with Sillen-derived structures
Authors of publication	Dmitri O. Charkin; Igor V. Plokhikh; Alexandr N. Zaloga; Maxim V. Lobanov; Sergey M. Kazakov
Journal of publication	Solid State Sciences
Year of publication	2017
Journal volume	71
Pages of publication	111 - 116
a	5.57374 ± 0.00006 Å
b	14.11358 ± 0.00016 Å
c	5.63458 ± 0.00007 Å
α	90°
β	90°
γ	90°
Cell volume	443.247 ± 0.009 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0115
Residual factor for significantly intense reflections	0.0115
Weighted residual factors for all reflections	0.0159
Weighted residual factors for significantly intense reflections	0.0159
Goodness-of-fit parameter for all reflections	2.16
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
205635 (current)	2018-01-25	cif/ Adding structures of 1548781 via cif-deposit CGI script.	1548781.cif