A Rietveld refinement approach in structural study of bismuth zinc niobate cubic pyrochlores
A brief introduction of Rietveld structural refinement and detailed procedure was discussed in this paper. High accuracy data is a prerequisite in structural study and therefore data are rendered from the state-of-art instruments, e.g. high resolution X-ray diffraction (XRD) and neutron diffraction...
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| Format: | Article |
| Language: | English |
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Malaysian Solid State Science and Technology Society
2010
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| Online Access: | http://psasir.upm.edu.my/id/eprint/12850/ http://psasir.upm.edu.my/id/eprint/12850/1/A%20Rietveld%20refinement%20approach%20in%20structural%20study%20of%20bismuth%20zinc%20niobate%20cubic%20pyrochlores.pdf |
| _version_ | 1848841948499017728 |
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| author | Tan, Kar Ban Khaw, Chwin Chieh Lee, Chnoong Kheng Zainal, Zulkarnain Chen, Soo Kien Lim, Kean Pah |
| author_facet | Tan, Kar Ban Khaw, Chwin Chieh Lee, Chnoong Kheng Zainal, Zulkarnain Chen, Soo Kien Lim, Kean Pah |
| author_sort | Tan, Kar Ban |
| building | UPM Institutional Repository |
| collection | Online Access |
| description | A brief introduction of Rietveld structural refinement and detailed procedure was discussed in this paper. High accuracy data is a prerequisite in structural study and therefore data are rendered from the state-of-art instruments, e.g. high resolution X-ray diffraction (XRD) and neutron diffraction (ND). The structural study of non-stoichiometric bismuth zinc niobate (BZN) pyrochlores was performed using General Structure Analysis System (GSAS); a comprehensive system for the refinement of structural models to both x-ray and neutron diffraction data. The stoichiometry calculated from the refinement was in excellence agreement to the phase diagram-determined stoichiometry. Powder neutron data were used to study oxygen sites as XRD data are insensitive to oxygen positions in the presence of heavy atoms such as Bi and Nb in the pyrochlore structure. The high R values and relatively long bond distance in A-O(1) indicated that displacement of A site cations were required in order to stable the structure, however, only preliminary steps and results were discussed at this stage; whilst, a more comprehensive displacement model would be addressed later.
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| first_indexed | 2025-11-15T07:51:21Z |
| format | Article |
| id | upm-12850 |
| institution | Universiti Putra Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-15T07:51:21Z |
| publishDate | 2010 |
| publisher | Malaysian Solid State Science and Technology Society |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | upm-128502016-01-19T02:50:12Z http://psasir.upm.edu.my/id/eprint/12850/ A Rietveld refinement approach in structural study of bismuth zinc niobate cubic pyrochlores Tan, Kar Ban Khaw, Chwin Chieh Lee, Chnoong Kheng Zainal, Zulkarnain Chen, Soo Kien Lim, Kean Pah A brief introduction of Rietveld structural refinement and detailed procedure was discussed in this paper. High accuracy data is a prerequisite in structural study and therefore data are rendered from the state-of-art instruments, e.g. high resolution X-ray diffraction (XRD) and neutron diffraction (ND). The structural study of non-stoichiometric bismuth zinc niobate (BZN) pyrochlores was performed using General Structure Analysis System (GSAS); a comprehensive system for the refinement of structural models to both x-ray and neutron diffraction data. The stoichiometry calculated from the refinement was in excellence agreement to the phase diagram-determined stoichiometry. Powder neutron data were used to study oxygen sites as XRD data are insensitive to oxygen positions in the presence of heavy atoms such as Bi and Nb in the pyrochlore structure. The high R values and relatively long bond distance in A-O(1) indicated that displacement of A site cations were required in order to stable the structure, however, only preliminary steps and results were discussed at this stage; whilst, a more comprehensive displacement model would be addressed later. Malaysian Solid State Science and Technology Society 2010 Article PeerReviewed application/pdf en http://psasir.upm.edu.my/id/eprint/12850/1/A%20Rietveld%20refinement%20approach%20in%20structural%20study%20of%20bismuth%20zinc%20niobate%20cubic%20pyrochlores.pdf Tan, Kar Ban and Khaw, Chwin Chieh and Lee, Chnoong Kheng and Zainal, Zulkarnain and Chen, Soo Kien and Lim, Kean Pah (2010) A Rietveld refinement approach in structural study of bismuth zinc niobate cubic pyrochlores. Solid State Science and Technology, 18 (1). pp. 129-141. ISSN 0128-7389 |
| spellingShingle | Tan, Kar Ban Khaw, Chwin Chieh Lee, Chnoong Kheng Zainal, Zulkarnain Chen, Soo Kien Lim, Kean Pah A Rietveld refinement approach in structural study of bismuth zinc niobate cubic pyrochlores |
| title | A Rietveld refinement approach in structural study of bismuth zinc niobate cubic pyrochlores |
| title_full | A Rietveld refinement approach in structural study of bismuth zinc niobate cubic pyrochlores |
| title_fullStr | A Rietveld refinement approach in structural study of bismuth zinc niobate cubic pyrochlores |
| title_full_unstemmed | A Rietveld refinement approach in structural study of bismuth zinc niobate cubic pyrochlores |
| title_short | A Rietveld refinement approach in structural study of bismuth zinc niobate cubic pyrochlores |
| title_sort | rietveld refinement approach in structural study of bismuth zinc niobate cubic pyrochlores |
| url | http://psasir.upm.edu.my/id/eprint/12850/ http://psasir.upm.edu.my/id/eprint/12850/1/A%20Rietveld%20refinement%20approach%20in%20structural%20study%20of%20bismuth%20zinc%20niobate%20cubic%20pyrochlores.pdf |