On the symmetry and crystal structures of Ba{sub 2}LaIrO{sub 6}

Journal Article · Mon Feb 15 00:00:00 EST 2010 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/j.jssc.2009.12.006· OSTI ID:21372499

Goetz, R J; IJdo, D J.W. ^[1]

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1. Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, P.O. Box 9502, 2300 RA Leiden (Netherlands)

Accurate profile analysis of X-ray diffraction data was carried out to settle recent dispute on the symmetry and crystal structures of the double perovskite Ba{sub 2}LaIrO{sub 6}. Even through careful comparison of the full-width at half-maximum values, we found no evidence for Ba{sub 2}LaIrO{sub 6} adopting either monoclinic (I2/m) or mixed rhombohedral (R3-bar) and monoclinic (I2/m) structures at room temperature, becoming triclinic (I1-bar) at below about 200 K. The correct space group is just R3-bar at temperatures between 82 and 653 K. Furthermore, the R3-bar->Fm3-barm phase transition does occur in Ba{sub 2}LaIrO{sub 6}, but the transition temperature is found to be much higher than the reported value. - Graphical abstract: Observed (crosses) and calculated (continuous line) profiles of Ba{sub 2}LaIrO{sub 6} at some selected temperature showing the region containing the basic (222), (321) and (400) reflections. Tick marks below indicate the positions of the allowed Bragg's reflections.

• OSTI ID: 21372499
• Journal Information: Journal of Solid State Chemistry, Vol. 183, Issue 2; Other Information: DOI: 10.1016/j.jssc.2009.12.006; PII: S0022-4596(09)00569-6; Copyright (c) 2009 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; ISSN 0022-4596
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
BARIUM COMPOUNDS
IRIDIUM OXIDES
LANTHANUM COMPOUNDS
MONOCLINIC LATTICES
PEROVSKITE
PHASE TRANSFORMATIONS
SPACE GROUPS
TEMPERATURE RANGE 0273-0400 K
TRANSITION TEMPERATURE
TRIGONAL LATTICES
X-RAY DIFFRACTION
ALKALINE EARTH METAL COMPOUNDS
CHALCOGENIDES
COHERENT SCATTERING
CRYSTAL LATTICES
CRYSTAL STRUCTURE
DIFFRACTION
IRIDIUM COMPOUNDS
MINERALS
OXIDE MINERALS
OXIDES
OXYGEN COMPOUNDS
PEROVSKITES
PHYSICAL PROPERTIES
RARE EARTH COMPOUNDS
REFRACTORY METAL COMPOUNDS
SCATTERING
SYMMETRY GROUPS
TEMPERATURE RANGE
THERMODYNAMIC PROPERTIES
TRANSITION ELEMENT COMPOUNDS