Artikel
Lizenziert
Nicht lizenziert
Erfordert eine Authentifizierung
Rechnerische Simulation eines ein-dimensionalen Fehlordnungsmodells für K0,5V2O5
Veröffentlicht/Copyright:
28. Juli 2010
Abstract
A one-dimensional disorder model has been proposed for the structure of the so-called ϱ-K0.5V2O5 studied by Savariault and Galy [J. Solid State Chem. 101 (1992) 110–1271.
Computer simulations showed, that the structure published by these authors can be explained by a model in which the layer sequences of the orthorhombic and the monoclinic structures randomly appear in a volume ratio of about 7 to 3. The trigonal-prismatically six-fold coordinated K position has been revealed to be a false maximum in the electron-density difference map. The orthorhombic (ϱ-K0.5V2O5 characterized by this K position does not really exist.
Published Online: 2010-7-28
Published in Print: 1999-2-1
© 2015 Oldenbourg Wissenschaftsverlag GmbH, Rosenheimer Str. 145, 81671 München
Sie haben derzeit keinen Zugang zu diesem Inhalt.
Sie haben derzeit keinen Zugang zu diesem Inhalt.
Artikel in diesem Heft
- A solution of the phase problem. I. Latent lattices and their optimisation
- Elastic properties of citric acid, citric acid hydrate, trilithium citrate tetrahydrate, trisodium citrate pentahydrate, and tripotassium citrate hydrate
- Determination of the superstructures for the stannides ZrIrSn, HfCoSn, and HfRhSn
- On the exchange of molybdenum by rhenium in γ-Mo4–xRexO11
- Rechnerische Simulation eines ein-dimensionalen Fehlordnungsmodells für K0,5V2O5
- New phases in the Yb–Au–Si and Ca–Au–Si systems
- Molecular structures and packing in crystals of ZnX2L2 complexes, having L as a monodentate oxo-ligand
- Molecular and crystal structures of two Nα-protected α-aminoacyl fluorides and their free carboxylic acid synthetic precursors1
- An examination of the influence of crystal structure on molecular structure. The crystal and molecular structures of some diorganotinchloro-(N,N-dialkyldithiocarbamate)s, R2Sn(S2CNR′2)Cl, R = Me, tBu, Ph, Cy; R′2 = (Et)2, (Et, Cy) and (Cy)2: a comparison between solid state and theoretical structures
Artikel in diesem Heft
- A solution of the phase problem. I. Latent lattices and their optimisation
- Elastic properties of citric acid, citric acid hydrate, trilithium citrate tetrahydrate, trisodium citrate pentahydrate, and tripotassium citrate hydrate
- Determination of the superstructures for the stannides ZrIrSn, HfCoSn, and HfRhSn
- On the exchange of molybdenum by rhenium in γ-Mo4–xRexO11
- Rechnerische Simulation eines ein-dimensionalen Fehlordnungsmodells für K0,5V2O5
- New phases in the Yb–Au–Si and Ca–Au–Si systems
- Molecular structures and packing in crystals of ZnX2L2 complexes, having L as a monodentate oxo-ligand
- Molecular and crystal structures of two Nα-protected α-aminoacyl fluorides and their free carboxylic acid synthetic precursors1
- An examination of the influence of crystal structure on molecular structure. The crystal and molecular structures of some diorganotinchloro-(N,N-dialkyldithiocarbamate)s, R2Sn(S2CNR′2)Cl, R = Me, tBu, Ph, Cy; R′2 = (Et)2, (Et, Cy) and (Cy)2: a comparison between solid state and theoretical structures
