Crystallography Open Database

Information card for entry 2105559

Preview

Coordinates	2105559.cif
Original IUCr paper	HTML

Structure parameters

Formula	Cs2 H3 O8 P S
Calculated formula	Cs2 H3 O8 P S
Title of publication	Structure and thermal behavior of the new superprotonic conductor Cs~2~(HSO~4~)(H~2~PO~4~)
Authors of publication	Chisholm, Calum R. I.; Haile, Sossina M.
Journal of publication	Acta Crystallographica Section B
Year of publication	1999
Journal volume	55
Journal issue	6
Pages of publication	937 - 946
a	7.856 ± 0.008 Å
b	7.732 ± 0.007 Å
c	7.827 ± 0.007 Å
α	90°
β	99.92 ± 0.04°
γ	90°
Cell volume	468.3 ± 0.8 Å³
Cell temperature	296 ± 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	0.0399
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for all reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0855
Goodness-of-fit parameter for all reflections	1.042
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176768 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10.	2105559.cif
90920	2013-11-21	cif/ Adding structures of 2105559 via cif-deposit CGI script.	2105559.cif