| Reference Type | Journal (article/letter/editorial) |
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| Title | A structural study of polymorphism in phenyl salicylate: determination of the crystal structure of a meta-stable phase from X-ray powder diffraction data using a direct space systematic search method |
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| Journal | Zeitschrift für Kristallographie - Crystalline Materials |
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| Authors | Hammond, R. B. | Author |
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| Jones, M. J. | Author |
| Roberts, K. J. | Author |
| Kutzke, H. | Author |
| Klapper, H. | Author |
| Year | 2002 (January 1) | Volume | 217 |
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| Issue | 9 |
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| Publisher | Walter de Gruyter GmbH |
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| DOI | doi:10.1524/zkri.217.9.484.22887Search in ResearchGate |
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| Generate Citation Formats |
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| Mindat Ref. ID | 116282 | Long-form Identifier | mindat:1:5:116282:4 |
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| GUID | 0 |
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| Full Reference | Hammond, R. B., Jones, M. J., Roberts, K. J., Kutzke, H., Klapper, H. (2002) A structural study of polymorphism in phenyl salicylate: determination of the crystal structure of a meta-stable phase from X-ray powder diffraction data using a direct space systematic search method. Zeitschrift für Kristallographie - Crystalline Materials, 217 (9) doi:10.1524/zkri.217.9.484.22887 |
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| Plain Text | Hammond, R. B., Jones, M. J., Roberts, K. J., Kutzke, H., Klapper, H. (2002) A structural study of polymorphism in phenyl salicylate: determination of the crystal structure of a meta-stable phase from X-ray powder diffraction data using a direct space systematic search method. Zeitschrift für Kristallographie - Crystalline Materials, 217 (9) doi:10.1524/zkri.217.9.484.22887 |
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| In | (2002, January) Zeitschrift für Kristallographie - Crystalline Materials Vol. 217 (9) Walter de Gruyter GmbH |
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| Abstract/Notes | AbstractIn this paper we report the crystal structure solution of a meta-stable phase of phenyl salicylate (salol). This modification, which is obtained from a super-cooled melt, has been observed before, but the structure has not been previously determined. Structure solution was achieved by a procedure combining a computer based systematic search method with a subsequent Rietveld refinement of experimental X-ray powder diffraction data. A clustering procedure to group similar trial structures based upon energy minimisations is discussed. The best trial structure identified by the combination of a systematic search and clustering was refined using the Rietveld method and a final structure with a weighted pattern index |
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