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Topology and symmetry analysis of rare earth borocarbides structural family, analogy to hexaferrites and relation to properties
Author(s) -
Belokoneva E. L.,
Mori Takao
Publication year - 2009
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.200800395
Subject(s) - symmetry (geometry) , octahedron , topology (electrical circuits) , rare earth , crystallography , layer (electronics) , materials science , chemistry , condensed matter physics , crystal structure , chemical physics , physics , nanotechnology , geometry , mathematics , mineralogy , combinatorics
The topology and symmetry analysis was applied to a series of rare earth borocarbide compounds, which have been gaining increasing interest due to their magnetic and thermoelectric properties. Using principles of OD theory, the crystal structures were deconvoluted into L(1) (B 12 icosahedra and C‐B‐C chain) layers and L(2) (rare earth and B 6 octahedral) layers. The arrangement of B 12 icosahedra in the L(1) layer is equal to close packed spheres, however, symmetry of the B 12 block lowers symmetry of the resulting layer from P 6/ mmm to P 3 m1. Both layers, L(1) and L(2) possess symmetry P 3 m1 and the conjugation of L(1) with L(2) layers occurs in accordance with the symmetry elements. No disorder may appear here because of equal symmetry of single layers and layer pairs and it is not a classical OD family. Only the increasing of the amount of one type of layers, namely L(1), provides the structural variations. Close analogy to the hexagonal ferrites family has been found. Topology and symmetry analysis reveals principles in the building up of the structural family, gives an insight into the particular order‐disorder formation mechanism/criteria of these homologous borocarbide compounds and as the result relation to the properties (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)