Neutron refinements of NaCu 2 (H 3 O 2 )(SO 4 ) 2 and RbCu 2 (H 3 O 2 )(SeO 4 ) 2 : Variation of the hydrogen bond system in the natrochalcite-type series

✍ Scribed by Chevrier, G.; Giester, G.; Zemann, J.

• Book ID: 118740511
• Publisher: Oldenbourg Wissenschaftsverlag
• Year: 1993
• Tongue: English
• Weight: 548 KB
• Volume: 206
• Category: Article
• ISSN: 2194-4946
• DOI: 10.1524/zkri.1993.206.Part-1.7

✦ Synopsis

Abstract

In the natrochalcite-type compounds NaCu~2~(H~3~O~2~)(SO~4~)~2~ and RbCu~2~(H~3~O~2~)(SeO~4~)~2~ the lengths of the two different hydrogen bridges vary widely: 2.44 Å and 2.70 Å in the Na-S member, and 2.60 Å and 3.03 Å in the Rb-Se member. Both structures were refined by single-crystal neutron diffraction methods. Least-squares refinements (harmonic vibrations for all atoms) resulted in a splitting of the H atom positions of the short bridges by 0.265(13) Å in the Na-S member, and by 0.472(6) Å in the Rb-Se member. In the two compounds no clear evidence for an ordering of the split position of the H atom was found.