Crystallography Open Database

Information card for entry 4338654

Preview

Coordinates	4338654.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F2 H1.64 K1.84 N0.16 O12 P3 Ti2
Calculated formula	F2 H1.64 K1.84 N0.16 O12 P3 Ti2
Title of publication	Synthesis and Characterization of a Fluorotitanophosphate (NH~4~)~0.16~K~1.84~[Ti~2~F~2~(PO~4~)~2~(PO~3~OH)] with a Unique Lamella Framework
Authors of publication	Yang, Sihai; Li, Guobao; Liu, Wei; Wang, Wei; Yan, Zhimin; Huang, Yining; Liao, Fuhui; Lin, Jianhua
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Journal issue	12
Pages of publication	5449 - 5453
a	16.406 ± 0.003 Å
b	8.323 ± 0.0017 Å
c	8.826 ± 0.0018 Å
α	90°
β	103.16 ± 0.03°
γ	90°
Cell volume	1173.5 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0775
Goodness-of-fit parameter for all reflections included in the refinement	1
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
210074 (current)	2018-08-23	cif/4/ Updating bibliography in entries 4302398, 4338654. Marking entry 4302398 as a duplicate of entry 4338654.	4338654.cif
179489	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 4/33/86.	4338654.cif
114777	2014-05-29	cif/ Adding structures of 4338654 via cif-deposit CGI script.	4338654.cif