Crystallography Open Database

Information card for entry 4339202

Preview

Coordinates	4339202.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F9 K4 O4 P Ti2
Calculated formula	F9 K4 O4 P Ti2
Title of publication	Syntheses and structural characterization of a series of one-dimensional fluorotitanophosphates (NH4)(x)K(4-x)[Ti(2)PO(4)F(9)] (x = 0, 0.70, 1.00, 1.25).
Authors of publication	Yang, Sihai; Li, Guobao; Li, Lei; Tian, Shujian; Liao, Fuhui; Xiong, Ming; Lin, Jianhua
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	26
Pages of publication	11431 - 11436
a	5.8402 ± 0.0012 Å
b	11 ± 0.002 Å
c	19.436 ± 0.004 Å
α	90°
β	90.87 ± 0.03°
γ	90°
Cell volume	1248.5 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0459
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0747
Weighted residual factors for all reflections included in the refinement	0.0858
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
179495 (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 4/33/92.	4339202.cif
117205	2014-06-14	cif/ Adding structures of 4339202 via cif-deposit CGI script.	4339202.cif