Anosovite-Type V3O5: A New Binary Oxide of Vanadium

被引:12
|
作者
Weher, D. [1 ]
Wessel, C. [2 ]
Reimann, C. [3 ]
Schwickert, C. [4 ]
Mueller, A. [1 ]
Ressler, T. [1 ]
Poettgen, R. [4 ]
Bredow, T. [3 ]
Dronskowski, R. [2 ]
Lerch, M.
机构
[1] TU Berlin, Inst Chem, D-10623 Berlin, Germany
[2] Rhein Westfal TH Aachen, Inst Anorgan Chem, D-52056 Aachen, Germany
[3] Univ Bonn, Inst Phys & Theoret Chem, D-53115 Bonn, Germany
[4] Univ Munster, Inst Anorgan & Analyt Chem, D-48149 Munster, Germany
关键词
GENERALIZED GRADIENT APPROXIMATION; CRYSTAL-STRUCTURE; PHASE-TRANSITION; METAL;
D O I
10.1021/ic301096d
中图分类号
O61 [无机化学];
学科分类号
070301 ; 081704 ;
摘要
The reaction of either V2F6 center dot 4H(2)O or a mixture of 60 wt % VF2 center dot 4H(2)O and 40 wt % VF3 center dot 3H(2)O with a water-saturated gaseous mixture of 15-20 vol % hydrogen in argon leads to the formation of a new polymorph of V3O5 crystallizing in the orthorhombic anosovite-type structure. Quantum-chemical calculations show that the anosovite-type structure is about 15 kJ/mol less stable than the corresponding monoclinic Magneli phase. In addition, there are no imaginary modes in the phonon density of states, supporting the classification of the anosovite-type phase as a metastable V3O5 polymorph. Susceptibility measurements down to 3 K reveal no hint for magnetic ordering.
引用
收藏
页码:8524 / 8529
页数:6
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