Crystallography Open Database

Information card for entry 2104992

Preview

Coordinates	2104992.cif
Original IUCr paper	HTML

Structure parameters

Common name	rubidium potassium oxopentafuorotitanate
Chemical name	rubidium potassium oxopentafuorotitanate
Formula	F5 K O Rb2 Ti
Calculated formula	F4.98 K O1.02 Rb2 Ti1.02
Title of publication	Dynamic orientational disorder in crystals of fluoroelpasolites, structural refinement of (NH~4~)~3~AlF~6~, (NH~4~)~3~TiOF~5~ and Rb~2~KTiOF~5~
Authors of publication	Udovenko, Anatoly A.; Laptash, Natalia M.
Journal of publication	Acta Crystallographica Section B
Year of publication	2011
Journal volume	67
Journal issue	6
Pages of publication	447 - 454
a	8.8879 ± 0.0002 Å
b	8.8879 ± 0.0002 Å
c	8.8879 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	702.1 ± 0.03 Å³
Cell temperature	218 ± 2 K
Ambient diffraction temperature	218 ± 2 K
Number of distinct elements	5
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for significantly intense reflections	0.061
Weighted residual factors for all reflections included in the refinement	0.061
Goodness-of-fit parameter for all reflections included in the refinement	1.333
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	2104992.cif
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2104992.cif
31431	2012-01-02	../uploads/cif-deposit/cod/cif Adding structures of 2104989, 2104990, 2104991, 2104992 via cif-deposit CGI script.	2104992.cif