- Abstract:
-
The possible occurrence of static/dynamic disorder at the Mg site in pyrope (Mg3Al2Si3O12), with or without anharmonic contribution to the thermal vibrations even at low temperatures, has been largely debated but conclusions were contrasting. Here a report is given on the experimental charge density distribution, ρEXP, of synthetic pyrope at T = 30 K, built through a Stewart multipolar expansion up to l = 5 and based on a very precise and accurate set of in-home measured single-crystal X-ray ...
Expand abstract - Publication status:
- Published
- Peer review status:
- Peer reviewed
- Version:
- Publisher's version
- Files:
-
-
(pdf, 1.3mb)
-
- Publisher copy:
- 10.1107/s2052520617006102
-
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- Publisher:
- International Union of Crystallography Publisher's website
- Journal:
- Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials Journal website
- Volume:
- 73
- Pages:
- 722-736
- Publication date:
- 2017-07-25
- Acceptance date:
- 2017-04-22
- DOI:
- ISSN:
-
2052-5206 and 2052-5192
- Pubs id:
-
pubs:713197
- URN:
-
uri:10f179d1-49b9-40a3-b4c7-4f817a595dac
- UUID:
-
uuid:10f179d1-49b9-40a3-b4c7-4f817a595dac
- Local pid:
- pubs:713197
- Language:
- English
- Keywords:
- Copyright holder:
- © 2017 International Union of Crystallography
- Copyright date:
- 2017
- Notes:
- This is the publisher's version of the article. The final version is available online from International Union of Crystallography at: 10.1107/s2052520617006102
Journal article
Anharmonic motions versus dynamic disorder at the Mg ion from the charge densities in pyrope (Mg3Al2Si3O12) crystals at 30 K: six of one, half a dozen of the other
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