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Zeitschrift für Kristallographie - Crystalline Materials

Editor-in-Chief: Pöttgen, Rainer

Ed. by Antipov, Evgeny / Boldyreva, Elena V. / Friese, Karen / Huppertz, Hubert / Jahn, Sandro / Tiekink, E. R. T.


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2196-7105
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Volume 191, Issue 3-4

Issues

The crystal structure of SrIrO3

H. Schmalle / Ch. Gurtner / H. R. Oswald / A. Reller
Published Online: 2010-08-25 | DOI: https://doi.org/10.1524/zkri.1990.191.3-4.239

Abstract

The structure of SrIrO3 was determined by single crystal X-ray diffraction. The crystals are cubic, space group I2/m[unk] (No. 204 Int. Tables), with a = 9.340(2) Å, V = 814.83 Å3, Z = 12, Dx = 8.017 g/cm3, Mr = 327.817, MoKα = 0.71073, μ = 679.04 cm−1, F(000) = 1668, room temperature, R = 0.026, Rw = 0.018 for 336 reflections with I > 3σ(I). The structure consists of pairs of edge-sharing IrO6 octahedra which are alternately linked via apical oxygens to the unshared edges of other octahedron pairs to a three dimensional body-centered framework. The Sr atom positions are disordered along the <111> directions occupying four special positions in 0,0,0 1/4,1/4,1/4, x1,x1,x1, and x2,x2,x2; x1 = 0.2972(3), x2 = 0.3573(2). Every split Sr at one of these four special positions is coordinated by six oxygen atoms [mean distance 2.782(5) Å]. The mean coordination distances of Sr to oxygen atoms are 2.690(6) and 2.602(4), and 2.496(2) and 3.338(8) Å, respectively. The Ir—O distances in the octahedra range from 1.961(5) to 1.980(6) Å, mean value 1.973(6) Å.

About the article

Published Online: 2010-08-25

Published in Print: 1990-02-01


Citation Information: Zeitschrift für Kristallographie - Crystalline Materials, Volume 191, Issue 3-4, Pages 239–247, ISSN (Online) 2196-7105, ISSN (Print) 2194-4946, DOI: https://doi.org/10.1524/zkri.1990.191.3-4.239.

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