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

Journal Article · Mon Feb 15 04:00:00 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, Journal Name: Journal of Solid State Chemistry Journal Issue: 2 Vol. 183; ISSN 0022-4596; ISSN JSSCBI
• Country of Publication: United States
• Language: English

Related Subjects

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