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

Mills, Stuart J. and Christy, Andrew G. (2013) Revised values of the bond-valence parameters for TeIV-O, TeVI-O and TeIV-Cl. Acta Crystallographica Section B: Structural Science, 69 2: 145-149. doi:10.1107/S0108768113004278


Author Mills, Stuart J.
Christy, Andrew G.
Title Revised values of the bond-valence parameters for TeIV-O, TeVI-O and TeIV-Cl
Formatted title
Revised values of the bond-valence parameters for TeIV-O, TeVI-O and TeIV-Cl
Journal name Acta Crystallographica Section B: Structural Science   Check publisher's open access policy
ISSN 0108-7681
Publication date 2013-01-01
Sub-type Article (original research)
DOI 10.1107/S0108768113004278
Open Access Status Not yet assessed
Volume 69
Issue 2
Start page 145
End page 149
Total pages 5
Place of publication Malden, MA, United States
Publisher Wiley-Blackwell Publishing
Language eng
Formatted abstract
Bond-valence parameters r0 and b have been re-determined for TeIV-O: r0 = 1.9605Å, b = 0.41; TeVI-O: r0 = 1.921Å, b = 0.56; and TeIV-Cl: r0 = 2.3115Å, 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 3.5Å were included. Root-mean square deviations of bond-valence sums on Te from ideal values were 0.1934, 0.1939 and 0.0865v.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.
Keyword Bond-valence parameters
Lone-pair electrons
Polyhedral distortion
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Non-UQ

Document type: Journal Article
Sub-type: Article (original research)
Collection: School of Earth Sciences Publications
 
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