Structure of the metastable cubic B{sub 1} phase of the La{sub 2}Mo{sub 2}O{sub 9} single crystal

Journal Article · Thu Jan 15 04:00:00 EST 2009 · Crystallography Reports

DOI:https://doi.org/10.1134/S1063774509010040· OSTI ID:22050881

Sorokina, N I; Verin, I A ^[1]; Voronkova, V I; Krasil'nikova, A E ^[2]

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1. Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)
2. Moscow State University, Faculty of Physics (Russian Federation)

The structure of the metastable B{sub 1} phase of the La{sub 2}Mo{sub 2}O{sub 9} single crystal is investigated using X-ray diffraction. It is established that the crystal structure of the compound under investigation is described by the cubic unit cell with the parameter a = 7.158(5) A, which makes it possible to index approximately 84% of the reflections measured for this single crystal. The structure of the metastable cubic B{sub 1} phase is characterized by a local lowering of the symmetry for the La and Mo atoms, which are displaced from their positions on the threefold axis, thus forming three sites around it with an occupancy of 0.333(2). The O(1) atom in the structure of the metastable cubic B{sub 1} phase remains in the 4a position on the threefold axis but occupies it by only 86%. The O(2) and O(3) atoms located in a general position occupy their own sites with occupancies of 0.77(2) and 0.35(2), respectively. The final R factor of the refinement of this structural model is 2.52%.

• OSTI ID: 22050881
• Journal Information: Crystallography Reports, Journal Name: Crystallography Reports Journal Issue: 1 Vol. 54; ISSN 1063-7745; ISSN CYSTE3
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
CRYSTAL STRUCTURE
LANTHANUM COMPOUNDS
MOLYBDATES
MONOCRYSTALS
R FACTORS
REFLECTION
STRUCTURAL MODELS
SYMMETRY
X-RAY DIFFRACTION