Crystallography Open Database

Information card for entry 1562188

Preview

Coordinates	1562188.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Potassium Titanium Scandium Oxide
Chemical name	Potassium Titanium Scandium Oxide
Formula	K1.51 O16 Sc1.51 Ti6.49
Calculated formula	K1.512 O16 Sc1.512 Ti6.488
Title of publication	Synthesis and crystal chemistry of microporous titanates K (Ti,M)8O16 where M=Sc‒Ni
Authors of publication	Moetakef, Pouya; Larson, Amber M.; Hodges, Brenna C.; Zavalij, Peter; Gaskell, Karen J.; Piccoli, Philip M.; Rodriguez, Efrain E.
Journal of publication	Journal of Solid State Chemistry
Year of publication	2014
Journal volume	220
Pages of publication	45 - 53
a	10.244 ± 0.002 Å
b	10.244 ± 0.002 Å
c	3.0077 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	315.63 ± 0.11 Å³
Cell temperature	149 ± 2 K
Ambient diffraction temperature	149 ± 2 K
Number of distinct elements	4
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.022
Residual factor for significantly intense reflections	0.0191
Weighted residual factors for significantly intense reflections	0.0433
Weighted residual factors for all reflections included in the refinement	0.0443
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
264623 (current)	2021-04-28	cif/ Adding structures of 1562187, 1562188, 1562189, 1562190, 1562191 via cif-deposit CGI script.	1562188.cif