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

来源：

INORGANIC CHEMISTRY | 2012年 / 51卷 / 15期

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

页码：8524 / 8529

页数：6

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