Refinement of hydrogen positions in (NH4)2SeO4

Autor:	K. Wozniak, N. Zink, A. Pawlukojc, G. Melnyk, L. S. Smirnov, A. Loose, P. Dominiak, L. A. Shuvalov
Rok vydání:	2007
Předmět:	Diffraction Bond length Crystallography Chemistry Astrophysics::High Energy Astrophysical Phenomena Neutron diffraction Physics::Optics Diffraction topography Crystal structure Single crystal Powder diffraction Surfaces Coatings and Films Electron backscatter diffraction
Zdroj:	Journal of Surface Investigation. X-ray, Synchrotron and Neutron Techniques. 1:113-119
ISSN:	1819-7094 1027-4510
DOI:	10.1134/s1027451007010235
Popis:	The crystal structure of ammonium selenate has been studied by means of single crystal x-ray and neutron diffraction with the purpose of the refinement of hydrogen positions. The refined hydrogen positions obtained by single crystal neutron diffraction show that N-H bond lengths form a regular tetrahedron in an ammonium ion. The single crystal x-ray diffraction data show that N-H bond lengths are shorter than those obtained by neutron diffraction and are not equal between themselves. Thus, the comparison of the results of x-ray and neutron diffraction allows one to suggest that the shorter N-H bond lengths obtained by x-ray diffraction reflect the distribution of the electron charge density of ammonium ions within the (NH4)2SeO4 crystal lattice.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::a373771e96a7572fff8575de51774597 https://doi.org/10.1134/s1027451007010235 Zobrazit plný text záznamu Full text from SpringerLink