NDLI: Hydrothermal synthesis and crystal structure of lithium scandium orthophosphate Li$_{2}$Sc[H(PO$_{4}$)$_{2}$]. The Li$_{2}$M$^{III}$[H(PO$_{4}$)$

Content Provider	SpringerLink
Author	Filaretov, A. A. Rusakov, D. A. Simov, S. V. Khasav, S. S. Komissarova, L. N.
Copyright Year	2009
Abstract	Conditions of the hydrothermal synthesis of scandium hydrogen orthophosphate Li$_{2}$Sc[H(PO$_{4}$)$_{2}$] (I) have been studied and the range of its monomineral crystallization have been determined. The existence of bound hydrogen in the structure has been confirmed by IR spectroscopy. The crystals of I are monoclinic: a = 4.857(1) Å, b = 8.198(2) Å, c = 7.664(2) Å, β = 104.097(5)°, space group P2$_{1}$/n, Z = 2. The structure was solved by direct methods and refined by full-matrix least-squares calculation in the anisotropic approximation for all non-hydrogen atoms, R $_{obs}$ = 0.0215, R $_{wall}$ = 0.0335 (705 reflections with I > 3σ(I)). The basis of the structure is a mixed anionic para-framework {Sc[H(PO$_{4}$)$_{2}$]} 3∞ 2− , composed of vertex-sharing ScO$_{6}$ octahedra and PO$_{4}$ tetrahedra. The structural unit of the para-framework is the microblock [ScP$_{6}$O$_{24}$] with symmetry $$ \bar 1 $$ . The microblocks are condensed in columns running in the [100] direction to form through channels filled with Li$^{+}$ cations (CN = 5). A model with splitting of the hydrogen atom position implying the formation of a strong asymmetric nonlinear H-bond has been suggested and considered. The compound is stable to 400°C. The results of studying compound I are presented together with the data on the Fe- and In-containing Li$_{2}$M$^{III}$[H(PO$_{4}$)$_{2}$] analogues.
Starting Page	1750
Ending Page	1762
Page Count	13
File Format	PDF
ISSN	00360236
Journal	Russian Journal of Inorganic Chemistry
Volume Number	54
Issue Number	11
e-ISSN	15318613
Language	English
Publisher	SP MAIK Nauka/Interperiodica
Publisher Date	2009-11-13
Publisher Place	Dordrecht
Access Restriction	Subscribed
Subject Keyword	Inorganic Chemistry
Content Type	Text
Resource Type	Article
Subject	Inorganic Chemistry Physical and Theoretical Chemistry Materials Science

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