Home News About Us Contact Contributors Disclaimer Privacy Policy Help FAQ

Home
Search
Quick Search
Advanced
Fulltext
Browse
Collections
Persons
My eDoc
Session History
Login
Name:
Password:
Documentation
Help
Support Wiki
Direct access to
document ID:


          Institute: MPI für Chemische Physik fester Stoffe     Collection: publications 2013     Display Documents



  history
ID: 671313.0, MPI für Chemische Physik fester Stoffe / publications 2013
Effect of Lone-Electron-Pair Cations on the Orientation of Crystallographic Shear Planes in Anion-Deficient Perovskites
Authors:Batuk, D.; Batuk, M.; Abakumov, A. M.; Tsirlin, A. A.; McCammon, C.; Pubrovinsky, L.; Hadermann, J.
Language:English
Date of Publication (YYYY-MM-DD):2013-09-02
Title of Journal:Inorganic Chemistry
Volume:52
Issue / Number:17
Start Page:10009
End Page:10020
Review Status:not specified
Audience:Not Specified
Abstract / Description:Factors affecting the structure and orientation of the crystallographic shear (CS) planes in anion-deficient perovskites were investigated using the (Pb1-,Srz),-xFe(1+x),,, "perovskites as a model system. The isovalent substitution of Sr2+ for Pb2+ highlights the-influence of the A cation electronic strUcture because these cations exhibit very close ionic radii. Two compositional ranges have been identified in the system: 0.05 <= z <= 0.2, where the CS plane orientation gradually varies but stays close to (203)p, and 0.3 <= z <= 0.45 with (101)p CS,planes. The incommensurately modulated structure of Pb0.792Sro.,68Fel.0,002.629 was refined from neutron powder diffraction data using the (3+ 1)D approach (space group X2/rn(alpha 0(gamma)), X -= C / 2, V2, I/2), a = 3.9512(1) A, b = 3.9483(1) A, c =3.9165(1) k, = 93.268(2)6, q =0.0879(1)a* +0.1276(1)c*, R-F = 0.023, R-p = 0.029, and T = 900 K). A comparison of the compounds with different CS planes indicates that the orientation of the CS planes is governed mainly by the stereochemical "activity of the lone-electron-pair cations inside the perovskite blocks.
External Publication Status:published
Document Type:Article
Communicated by:Ina Werner
Affiliations:MPI für chemische Physik fester Stoffe
Identifiers:ISI:000326129000037 [ID No:1]
ISSN:0020-1669 [ID No:2]
DOI:10.1021/ic4012845
The scope and number of records on eDoc is subject to the collection policies defined by each institute - see "info" button in the collection browse view.