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Positional and thermal disorder in the trigonal bipyramid of magnetoplumbite structure type SrGa12O19
Published/Copyright:
July 28, 2010
Abstract
The crystal structure of SrGa12019 has been refined at 473 K, 298 K and 160 K to R-values of 0.025, 0.023 and 0.030, respectively. The temperature dependence of the Debye-Waller factors shows that five-fold coordinated Ga3+ is randomly displaced from the center of its trigonal bipyramidal coordination polyhedron along positive and negative directions of the c-axis. The magnitude of displacement increases with the temperature. Although the Madelung part of lattice energy favours central location, this is prevented by repulsion of the three equatorial oxygen atoms.
Published Online: 2010-7-28
Published in Print: 1994-4-1
© 2015 Oldenbourg Wissenschaftsverlag GmbH, Rosenheimer Str. 145, 81671 München
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