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Rietveld refinement of the crystal structures of Rb2XSi5O12(X= Ni, Mn)
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| Zeitschriftentitel: | Acta Crystallographica Section E Crystallographic Communications |
|---|---|
| Personen und Körperschaften: | , |
| In: | Acta Crystallographica Section E Crystallographic Communications, 72, 2016, 2, S. 249-252 |
| Format: | E-Article |
| Sprache: | Unbestimmt |
| veröffentlicht: |
International Union of Crystallography (IUCr)
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| Schlagwörter: |
| author_facet |
Bell, Anthony M. T. Henderson, C. Michael B. Bell, Anthony M. T. Henderson, C. Michael B. |
|---|---|
| author |
Bell, Anthony M. T. Henderson, C. Michael B. |
| spellingShingle |
Bell, Anthony M. T. Henderson, C. Michael B. Acta Crystallographica Section E Crystallographic Communications Rietveld refinement of the crystal structures of Rb2XSi5O12(X= Ni, Mn) Condensed Matter Physics General Materials Science General Chemistry |
| author_sort |
bell, anthony m. t. |
| spelling |
Bell, Anthony M. T. Henderson, C. Michael B. 2056-9890 International Union of Crystallography (IUCr) Condensed Matter Physics General Materials Science General Chemistry http://dx.doi.org/10.1107/s2056989016001390 <jats:p>The synthetic leucite silicate framework mineral analogues Rb<jats:sub>2</jats:sub><jats:italic>X</jats:italic>Si<jats:sub>5</jats:sub>O<jats:sub>12</jats:sub>{<jats:italic>X</jats:italic>= Ni [dirubidium nickel(II) pentasilicate] and Mn [dirubidium manganese(II) pentasilicate]} have been prepared by high-temperature solid-state synthesis. The results of Rietveld refinements, using X-ray powder diffraction data collected using Cu<jats:italic>K</jats:italic>α X-rays, show that the title compounds crystallize in the space group<jats:italic>Pbca</jats:italic>and adopt the cation-ordered structure of Cs<jats:sub>2</jats:sub>CdSi<jats:sub>5</jats:sub>O<jats:sub>12</jats:sub>and other leucites. The structures consist of tetrahedral SiO<jats:sub>4</jats:sub>and<jats:italic>X</jats:italic>O<jats:sub>4</jats:sub>units sharing corners to form a partially substituted silicate framework. Extraframework Rb<jats:sup>+</jats:sup>cations sit in channels in the framework. All atoms occupy the 8<jats:italic>c</jats:italic>general position for this space group. In these refined structures, silicon and<jats:italic>X</jats:italic>atoms are ordered onto separate tetrahedrally coordinated sites (T-sites). However, the Ni displacement parameter and the Ni—O bond lengths suggest that for the<jats:italic>X</jats:italic>= Ni sample, there may actually be some T-site cation disorder.</jats:p> Rietveld refinement of the crystal structures of Rb<sub>2</sub><i>X</i>Si<sub>5</sub>O<sub>12</sub>(<i>X</i>= Ni, Mn) Acta Crystallographica Section E Crystallographic Communications |
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10.1107/s2056989016001390 |
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Online Free |
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Physik |
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International Union of Crystallography (IUCr), 2016 |
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International Union of Crystallography (IUCr), 2016 |
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2056-9890 |
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Acta Crystallographica Section E Crystallographic Communications |
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49 |
| title |
Rietveld refinement of the crystal structures of Rb2XSi5O12(X= Ni, Mn) |
| title_unstemmed |
Rietveld refinement of the crystal structures of Rb2XSi5O12(X= Ni, Mn) |
| title_full |
Rietveld refinement of the crystal structures of Rb2XSi5O12(X= Ni, Mn) |
| title_fullStr |
Rietveld refinement of the crystal structures of Rb2XSi5O12(X= Ni, Mn) |
| title_full_unstemmed |
Rietveld refinement of the crystal structures of Rb2XSi5O12(X= Ni, Mn) |
| title_short |
Rietveld refinement of the crystal structures of Rb2XSi5O12(X= Ni, Mn) |
| title_sort |
rietveld refinement of the crystal structures of rb<sub>2</sub><i>x</i>si<sub>5</sub>o<sub>12</sub>(<i>x</i>= ni, mn) |
| topic |
Condensed Matter Physics General Materials Science General Chemistry |
| url |
http://dx.doi.org/10.1107/s2056989016001390 |
| publishDate |
2016 |
| physical |
249-252 |
| description |
<jats:p>The synthetic leucite silicate framework mineral analogues Rb<jats:sub>2</jats:sub><jats:italic>X</jats:italic>Si<jats:sub>5</jats:sub>O<jats:sub>12</jats:sub>{<jats:italic>X</jats:italic>= Ni [dirubidium nickel(II) pentasilicate] and Mn [dirubidium manganese(II) pentasilicate]} have been prepared by high-temperature solid-state synthesis. The results of Rietveld refinements, using X-ray powder diffraction data collected using Cu<jats:italic>K</jats:italic>α X-rays, show that the title compounds crystallize in the space group<jats:italic>Pbca</jats:italic>and adopt the cation-ordered structure of Cs<jats:sub>2</jats:sub>CdSi<jats:sub>5</jats:sub>O<jats:sub>12</jats:sub>and other leucites. The structures consist of tetrahedral SiO<jats:sub>4</jats:sub>and<jats:italic>X</jats:italic>O<jats:sub>4</jats:sub>units sharing corners to form a partially substituted silicate framework. Extraframework Rb<jats:sup>+</jats:sup>cations sit in channels in the framework. All atoms occupy the 8<jats:italic>c</jats:italic>general position for this space group. In these refined structures, silicon and<jats:italic>X</jats:italic>atoms are ordered onto separate tetrahedrally coordinated sites (T-sites). However, the Ni displacement parameter and the Ni—O bond lengths suggest that for the<jats:italic>X</jats:italic>= Ni sample, there may actually be some T-site cation disorder.</jats:p> |
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| author | Bell, Anthony M. T., Henderson, C. Michael B. |
| author_facet | Bell, Anthony M. T., Henderson, C. Michael B., Bell, Anthony M. T., Henderson, C. Michael B. |
| author_sort | bell, anthony m. t. |
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| container_title | Acta Crystallographica Section E Crystallographic Communications |
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| description | <jats:p>The synthetic leucite silicate framework mineral analogues Rb<jats:sub>2</jats:sub><jats:italic>X</jats:italic>Si<jats:sub>5</jats:sub>O<jats:sub>12</jats:sub>{<jats:italic>X</jats:italic>= Ni [dirubidium nickel(II) pentasilicate] and Mn [dirubidium manganese(II) pentasilicate]} have been prepared by high-temperature solid-state synthesis. The results of Rietveld refinements, using X-ray powder diffraction data collected using Cu<jats:italic>K</jats:italic>α X-rays, show that the title compounds crystallize in the space group<jats:italic>Pbca</jats:italic>and adopt the cation-ordered structure of Cs<jats:sub>2</jats:sub>CdSi<jats:sub>5</jats:sub>O<jats:sub>12</jats:sub>and other leucites. The structures consist of tetrahedral SiO<jats:sub>4</jats:sub>and<jats:italic>X</jats:italic>O<jats:sub>4</jats:sub>units sharing corners to form a partially substituted silicate framework. Extraframework Rb<jats:sup>+</jats:sup>cations sit in channels in the framework. All atoms occupy the 8<jats:italic>c</jats:italic>general position for this space group. In these refined structures, silicon and<jats:italic>X</jats:italic>atoms are ordered onto separate tetrahedrally coordinated sites (T-sites). However, the Ni displacement parameter and the Ni—O bond lengths suggest that for the<jats:italic>X</jats:italic>= Ni sample, there may actually be some T-site cation disorder.</jats:p> |
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| imprint | International Union of Crystallography (IUCr), 2016 |
| imprint_str_mv | International Union of Crystallography (IUCr), 2016 |
| institution | DE-Pl11, DE-Rs1, DE-105, DE-14, DE-Ch1, DE-L229, DE-D275, DE-Bn3, DE-Brt1, DE-Zwi2, DE-D161, DE-Gla1, DE-Zi4, DE-15 |
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| physical | 249-252 |
| publishDate | 2016 |
| publishDateSort | 2016 |
| publisher | International Union of Crystallography (IUCr) |
| record_format | ai |
| recordtype | ai |
| series | Acta Crystallographica Section E Crystallographic Communications |
| source_id | 49 |
| spelling | Bell, Anthony M. T. Henderson, C. Michael B. 2056-9890 International Union of Crystallography (IUCr) Condensed Matter Physics General Materials Science General Chemistry http://dx.doi.org/10.1107/s2056989016001390 <jats:p>The synthetic leucite silicate framework mineral analogues Rb<jats:sub>2</jats:sub><jats:italic>X</jats:italic>Si<jats:sub>5</jats:sub>O<jats:sub>12</jats:sub>{<jats:italic>X</jats:italic>= Ni [dirubidium nickel(II) pentasilicate] and Mn [dirubidium manganese(II) pentasilicate]} have been prepared by high-temperature solid-state synthesis. The results of Rietveld refinements, using X-ray powder diffraction data collected using Cu<jats:italic>K</jats:italic>α X-rays, show that the title compounds crystallize in the space group<jats:italic>Pbca</jats:italic>and adopt the cation-ordered structure of Cs<jats:sub>2</jats:sub>CdSi<jats:sub>5</jats:sub>O<jats:sub>12</jats:sub>and other leucites. The structures consist of tetrahedral SiO<jats:sub>4</jats:sub>and<jats:italic>X</jats:italic>O<jats:sub>4</jats:sub>units sharing corners to form a partially substituted silicate framework. Extraframework Rb<jats:sup>+</jats:sup>cations sit in channels in the framework. All atoms occupy the 8<jats:italic>c</jats:italic>general position for this space group. In these refined structures, silicon and<jats:italic>X</jats:italic>atoms are ordered onto separate tetrahedrally coordinated sites (T-sites). However, the Ni displacement parameter and the Ni—O bond lengths suggest that for the<jats:italic>X</jats:italic>= Ni sample, there may actually be some T-site cation disorder.</jats:p> Rietveld refinement of the crystal structures of Rb<sub>2</sub><i>X</i>Si<sub>5</sub>O<sub>12</sub>(<i>X</i>= Ni, Mn) Acta Crystallographica Section E Crystallographic Communications |
| spellingShingle | Bell, Anthony M. T., Henderson, C. Michael B., Acta Crystallographica Section E Crystallographic Communications, Rietveld refinement of the crystal structures of Rb2XSi5O12(X= Ni, Mn), Condensed Matter Physics, General Materials Science, General Chemistry |
| title | Rietveld refinement of the crystal structures of Rb2XSi5O12(X= Ni, Mn) |
| title_full | Rietveld refinement of the crystal structures of Rb2XSi5O12(X= Ni, Mn) |
| title_fullStr | Rietveld refinement of the crystal structures of Rb2XSi5O12(X= Ni, Mn) |
| title_full_unstemmed | Rietveld refinement of the crystal structures of Rb2XSi5O12(X= Ni, Mn) |
| title_short | Rietveld refinement of the crystal structures of Rb2XSi5O12(X= Ni, Mn) |
| title_sort | rietveld refinement of the crystal structures of rb<sub>2</sub><i>x</i>si<sub>5</sub>o<sub>12</sub>(<i>x</i>= ni, mn) |
| title_unstemmed | Rietveld refinement of the crystal structures of Rb2XSi5O12(X= Ni, Mn) |
| topic | Condensed Matter Physics, General Materials Science, General Chemistry |
| url | http://dx.doi.org/10.1107/s2056989016001390 |