Crystallography Open Database

Information card for entry 7216764

Preview

Coordinates	7216764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3.42 H0 Al2 F2 Mn0.56 N0 O11.84 P3
Calculated formula	C3.44 Al2 F2 Mn0.56 O11.8363 P3
Title of publication	Mn2+ Cation-Directed Ionothermal Synthesis of an Open-Framework Fluorinated Aluminium Phosphite-Phosphate
Authors of publication	Liu, Hao; Tian, Zhijian; Gies, H.; Wei, Ying; Marler, Bernd; Wang, Lei; Wang, Yasong; Li, Dawei
Journal of publication	RSC Advances
Year of publication	2014
a	13.2544 ± 0.0002 Å
b	13.2544 ± 0.0002 Å
c	15.6722 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	2384.41 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0607
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1202
Weighted residual factors for all reflections included in the refinement	0.1277
Goodness-of-fit parameter for all reflections included in the refinement	1.262
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7216764.cif
118045	2014-06-25	cif/ Adding structures of 7216764 via cif-deposit CGI script.	7216764.cif