Crystallography Open Database

Information card for entry 4306902

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Coordinates	4306902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	D4.52 H0.48 O8.5 Si Ti2
Calculated formula	D4.518 H2.8 O8.5 Si Ti2
Title of publication	Role of the Hydroxyl-Water Hydrogen-Bond Network in Structural Transitions and Selectivity toward Cesium in Cs0.38(D1.08H0.54)SiTi2O7.(D0.86H0.14)2O Crystalline Silicotitanate
Authors of publication	Aaron J. Celestian; John B. Parise; Ronald I. Smith; Brian H. Toby; Abraham Clearfield
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	1081 - 1089
a	11.07041 ± 0.00031 Å
b	11.07041 Å
c	11.8917 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1457.38 ± 0.07 Å³
Number of distinct elements	5
Space group number	135
Hermann-Mauguin space group symbol	P 42/m b c
Hall space group symbol	-P 4c 2ab
Goodness-of-fit parameter for all reflections	2.01
Method of determination	powder diffraction
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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