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December 1, 1993Acta Crystallographica Section B Structural Science146 citations

Determination of crystal structures from limited powder data sets: crystal structure of zirconium phenylphosphonate

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MPM. Damodara PoojaryHHH.-L. HuFCFred L. Campbell

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Abstract

The structure of zirconium phenylphosphonate, Zr(O 3 PC 6 H 5 ) 2 , was solved based on a combination of modeling techniques and Patterson methods and refined by Rietveld methods. Powder diffraction data were collected using synchrotron radiation (λ= 1.3087 A). The crystals belong to the space group C2/c with a=9.0985 (5), b=5.4154 (3), c= 30.235 (2) A and β=101.333 (5) o . The reliability factors are R wp =0.129, R p =0.095, R F =0.023 and the statistically expected R wp =0.02. In the c-axis projection the structure resembles very closely that of α-zirconium phosphate. The phenyl groups are inclined by about 30 o to the c axis and also tilted from the ab plane

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Cite This Study

Poojary et al. (1993) studied this question.

synapsesocial.com/papers/69db9bf8387cf706986885f6https://doi.org/10.1107/s0108768193006937
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