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Naji, M. |
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Motta, Antonella |
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Aletan, Dirar |
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Mohamed, Tarek |
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Casati, R. |
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Ali, M. A. |
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Rančić, M. |
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Azevedo, Nuno Monteiro |
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Brüning, Jürgen
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article
Electron diffraction, X-ray powder diffraction and pair-distribution-function analyses to determine the crystal structures of Pigment Yellow 213, C<sub>23</sub>H<sub>21</sub>N<sub>5</sub>O<sub>9</sub>
Abstract
<jats:p>The crystal structure of the nanocrystalline α phase of Pigment Yellow 213 (P.Y. 213) was solved by a combination of single-crystal electron diffraction and X-ray powder diffraction, despite the poor crystallinity of the material. The molecules form an efficient dense packing, which explains the observed insolubility and weather fastness of the pigment. The pair-distribution function (PDF) of the α phase is consistent with the determined crystal structure. The β phase of P.Y. 213 shows even lower crystal quality, so extracting any structural information directly from the diffraction data is not possible. PDF analysis indicates the β phase to have a columnar structure with a similar local structure as the α phase and a domain size in column direction of approximately 4 nm.</jats:p>