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A cubic calcium oxynitrido-silicate, Ca2.89Si2N1.76O4.24
Linnaeus University, Faculty of Science and Engineering, School of Engineering. (Glass group)
Stockholm University.
Stockholm University.
Stockholm University.
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2011 (English)In: Acta Crystallographica Section E: Structure Reports Online, ISSN 1600-5368, E-ISSN 1600-5368, Vol. 67, article id i66Article in journal (Refereed) Published
Abstract [en]

The title compound, tricalcium oxynitride silicate, withcomposition Ca3-xSi2N2-2xO4+2x (x ’ 0.12), is a perovskiterelatedcalcium oxynitrido silicate containing isolated oxynitridosilicate 12-rings. The N atoms are statistically disorderedwith O atoms (occupancy ratio N:O = 0.88:0.12) and occupythe bridging positions in the 12 ring oxynitrido silicate anion,while the remaining O atoms are located at the terminalpositions of the Si(O,N)4 tetrahedra. The majority of the Ca2+cations fill the channels along [100] in the packing of the 12-ring anions. The rest of these cations are located at severalpositions, with partial occupancy, in channels along the bodydiagonals.

Place, publisher, year, edition, pages
2011. Vol. 67, article id i66
Keywords [en]
single-crystal X-ray study, T = 293 K, mean (Si–O) = 0.002 A°, disorder in main residue, R factor = 0.032, wR factor = 0.069, data-to-parameter ratio = 17.5
National Category
Chemical Engineering
Research subject
Technology (byts ev till Engineering), Glass Technology
Identifiers
URN: urn:nbn:se:lnu:diva-15903DOI: 10.1107/S1600536811042607OAI: oai:DiVA.org:lnu-15903DiVA, id: diva2:460150
Available from: 2011-11-29 Created: 2011-11-29 Last updated: 2017-12-08Bibliographically approved

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Ali, Sharafat

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