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Synchrotron X-ray study of noncentrosymmetric Tb(3)RuO(7) with partial structural disorder
Nobuo Ishizawa1, Tsuyoshi Suwa, Kenji Tateishi
1Ceramics Research Laboratory, Nagoya Institute of Technology, Asahigaoka, Tajimi 507-0071, Japan. ishizawa@nitech.ac.jp
Summary
Structural disorder of terbium (Tb) atoms was observed in triterbium ruthenium heptaoxide crystals. This noncentrosymmetric structure features unique RuO(6) octahedra arrangements, differing from other lanthanoid analogues.
Area of Science:
- Solid-state chemistry
- Crystallography
- Materials science
Background:
- Triterbium ruthenium heptaoxide (Tb(3)RuO(7)) belongs to the Ln(3)RuO(7) family, known for diverse structural modifications.
- Understanding the crystal structure and atomic arrangements is crucial for predicting material properties.
Purpose of the Study:
- To investigate the crystal structure and atomic disorder in flux-grown Tb(3)RuO(7) at room temperature.
- To characterize the coordination environment and structural features of Tb and Ru atoms.
Main Methods:
- Single-crystal synchrotron X-ray diffraction was employed to analyze the crystal structure.
- The analysis was performed at 293 K (20 °C).
Main Results:
- Partial structural disorder of terbium (Tb) atoms was identified at 293 K.
- The noncentrosymmetric structure consists of corner-linked RuO(6) octahedra chains within a Tb(3)O matrix.
- Two of the six independent Tb sites exhibited positional splitting (0.3-0.4 Å separation) with distinct coordination environments.
- The P2(1)nb modification displays two RuO(6) octahedra tilt systems (about a and c axes), unlike the Cmcm modifications of other Ln(3)RuO(7) compounds.
Conclusions:
- The study reveals significant structural disorder in Tb(3)RuO(7), highlighting the complexity of Ln(3)RuO(7) materials.
- The observed structural differences, particularly the RuO(6) octahedra tilting, distinguish this modification from previously reported structures.
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