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Revised values of the bond-valence parameters for TeIV-O, TeVI-O and TeIV-Cl.

Authors :
Mills, Stuart J.
Christy, Andrew G.
Source :
Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials. Apr2013, Vol. 69 Issue 2, p145-149. 5p.
Publication Year :
2013

Abstract

Bond-valence parameters r0 and b have been re-determined for TeIV-O: r0 = 1.9605 Å, b = 0.41; TeVI-O: r0 = 1.921 Å, b = 0.56; and TeIV-Cl: r0 = 2.3115 Å, b = 0.555. Bond distance data from 208 independent TeIV-O polyhedra, 118 TeVI-O polyhedra and 26 TeIV-Cl polyhedra were used, and all neighbours out to 3.5 Å were included. Root-mean square deviations of bond-valence sums on Te from ideal values were 0.1934, 0.1939 and 0.0865 v.u. The good fit for TeIV-O over a range of Te coordination numbers from 3 to 12 demonstrates that there is no essential difference in character between short `primary' Te-O bonds, oriented away from the Te lone pair, and longer `secondary' Te-O bonds on the same side of the Te atom as the lone pair. Comparison of bond-valence sums for Te-O polyhedra obtained using the new parameters with those calculated using earlier literature values shows that the new parameters give a narrower spread of calculated bond-valence sums, which means much closer to the formal valence for both oxidation states of tellurium. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
20525192
Volume :
69
Issue :
2
Database :
Academic Search Index
Journal :
Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials
Publication Type :
Academic Journal
Accession number :
86367843
Full Text :
https://doi.org/10.1107/S2052519213004272