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Volumn 46, Issue 2, 2007, Pages 446-452

Phase transition in Tl2TeO3: Influence and origin of the thallium lone pair distortion

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EID: 33846634617     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic061273j     Document Type: Article
Times cited : (12)

References (76)
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    • The automatic routine yielded in the case of the monoclinic structure for Tl1 a radius of 4.13 for Tl1, 4.02 for Tl2, 2.74 for Te, 1.58 for O1, 1.59 for O2, and 1.57 Å for O3. For the orthorhombic structure radii of 3.83 for Tl1, 3.99 for Tl2, 2.60 for Te, 1.70 for O1, 1.89 for O2, and 1.79 Å for O3 were generated. The muffin tin radii for the empty spheres ranged from ∼2 to ∼1 Å. Special care was taken to choose comparable ASA radii for both structures to allow for a better comparison.
    • The automatic routine yielded in the case of the monoclinic structure for Tl1 a radius of 4.13 for Tl1, 4.02 for Tl2, 2.74 for Te, 1.58 for O1, 1.59 for O2, and 1.57 Å for O3. For the orthorhombic structure radii of 3.83 for Tl1, 3.99 for Tl2, 2.60 for Te, 1.70 for O1, 1.89 for O2, and 1.79 Å for O3 were generated. The muffin tin radii for the empty spheres ranged from ∼2 to ∼1 Å. Special care was taken to choose comparable ASA radii for both structures to allow for a better comparison.
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    • Max-Planck-Institute fur Festkörperforschung, Stuttgart, Germany
    • unpublished
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    • DSC measurement show a melting point of 380°C. We attribute this lower melting point to mechanically induced changes like, e.g, observed in the case of SiO2 for tridymite: Cellai, D, Carpenter, M. A, Kirkpatrick, R. J, Salje, E. K. H, Zhang, M. Phys. Chem. Miner. 1995, 50
    • 2 for tridymite: Cellai, D.; Carpenter, M. A.; Kirkpatrick, R. J.; Salje, E. K. H.; Zhang, M. Phys. Chem. Miner. 1995, 50).
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    • 3 crystallizes from the melt.
    • 3 crystallizes from the melt.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.