Related Experiment Videos
Structure of KNbOB2O5--a commensurately modulated structure
Siegbert Schmid1, Trixie Wagner
1School of Chemistry, The University of Sydney, Sydney, NSW 2006, Australia. s.schmid@chem-usyd.edu.au
Acta Crystallographica. Section B, Structural Science
|July 26, 2005
Summary
The crystal structure of potassium niobium oxyborate (KNbOB2O5) was solved for the first time using X-ray diffraction. This study reveals its nature as a modulated structure, providing new insights into the AMOB2O5 compound family.
Area of Science:
- Solid-state chemistry
- Crystallography
- Materials science
Background:
- The AMOB2O5 (A = K, Rb, Cs, Tl; M = Nb, Ta) family exhibits complex modulated structures.
- Understanding these structures is crucial for materials design and property prediction.
Purpose of the Study:
- To determine the crystal structure of KNbOB2O5 using single-crystal X-ray diffraction.
- To characterize KNbOB2O5 as a modulated structure within the AMOB2O5 family.
Main Methods:
- Single-crystal X-ray diffraction with Mo Kalpha radiation.
- Structure solution and refinement using JANA2000 and SHELXS97 software.
- Analysis of average structure in space group Pmn2(1) and modulated structure in superspace group Pmn2(1)(0,0.375,0)s.
Main Results:
- The crystal structure of KNbOB2O5 was solved and refined for the first time.
- The compound exhibits a commensurately modulated structure.
- The final refinement converged to a low R(1) value of 0.024 in space group Pbn2(1).
Conclusions:
- KNbOB2O5 is a member of the AMOB2O5 family and possesses a modulated crystal structure.
- The study provides a detailed structural description of KNbOB2O5.
- This work contributes to the understanding of modulated structures in inorganic compounds.