A cubic calcium oxynitrido-silicate, Ca(2.89)Si(2)N(1.76)O(4.24)

The title compound, tricalcium oxynitride silicate, with composition Ca(3-x)Si(2)N(2-2x)O(4+2x) (x ≃ 0.12), is a perovskite-related calcium oxynitrido silicate containing isolated oxynitrido silicate 12-rings. The N atoms are statistically disordered with O atoms (occupancy ratio N:O = 0.88:0.12) an...

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Autores principales: Sharafat, Ali, Berastegui, Pedro, Esmaeilzadeh, Saeid, Eriksson, Lars, Grins, Jekabs
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Inorganic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3246911/
https://www.ncbi.nlm.nih.gov/pubmed/22219731
http://dx.doi.org/10.1107/S1600536811042607
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author Sharafat, Ali
Berastegui, Pedro
Esmaeilzadeh, Saeid
Eriksson, Lars
Grins, Jekabs
author_facet Sharafat, Ali
Berastegui, Pedro
Esmaeilzadeh, Saeid
Eriksson, Lars
Grins, Jekabs
author_sort Sharafat, Ali
collection PubMed
description The title compound, tricalcium oxynitride silicate, with composition Ca(3-x)Si(2)N(2-2x)O(4+2x) (x ≃ 0.12), is a perovskite-related calcium oxynitrido silicate containing isolated oxynitrido silicate 12-rings. The N atoms are statistically disordered with O atoms (occupancy ratio N:O = 0.88:0.12) and occupy the bridging positions in the 12 ring oxynitrido silicate anion, while the remaining O atoms are located at the terminal positions of the Si(O,N)(4) tetrahedra. The majority of the Ca(2+) cations fill the channels along [100] in the packing of the 12-ring anions. The rest of these cations are located at several positions, with partial occupancy, in channels along the body diagonals.
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spelling pubmed-32469112012-01-04 A cubic calcium oxynitrido-silicate, Ca(2.89)Si(2)N(1.76)O(4.24) Sharafat, Ali Berastegui, Pedro Esmaeilzadeh, Saeid Eriksson, Lars Grins, Jekabs Acta Crystallogr Sect E Struct Rep Online Inorganic Papers The title compound, tricalcium oxynitride silicate, with composition Ca(3-x)Si(2)N(2-2x)O(4+2x) (x ≃ 0.12), is a perovskite-related calcium oxynitrido silicate containing isolated oxynitrido silicate 12-rings. The N atoms are statistically disordered with O atoms (occupancy ratio N:O = 0.88:0.12) and occupy the bridging positions in the 12 ring oxynitrido silicate anion, while the remaining O atoms are located at the terminal positions of the Si(O,N)(4) tetrahedra. The majority of the Ca(2+) cations fill the channels along [100] in the packing of the 12-ring anions. The rest of these cations are located at several positions, with partial occupancy, in channels along the body diagonals. International Union of Crystallography 2011-10-29 /pmc/articles/PMC3246911/ /pubmed/22219731 http://dx.doi.org/10.1107/S1600536811042607 Text en © Sharafat et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Inorganic Papers
Sharafat, Ali
Berastegui, Pedro
Esmaeilzadeh, Saeid
Eriksson, Lars
Grins, Jekabs
A cubic calcium oxynitrido-silicate, Ca(2.89)Si(2)N(1.76)O(4.24)
title A cubic calcium oxynitrido-silicate, Ca(2.89)Si(2)N(1.76)O(4.24)
title_full A cubic calcium oxynitrido-silicate, Ca(2.89)Si(2)N(1.76)O(4.24)
title_fullStr A cubic calcium oxynitrido-silicate, Ca(2.89)Si(2)N(1.76)O(4.24)
title_full_unstemmed A cubic calcium oxynitrido-silicate, Ca(2.89)Si(2)N(1.76)O(4.24)
title_short A cubic calcium oxynitrido-silicate, Ca(2.89)Si(2)N(1.76)O(4.24)
title_sort cubic calcium oxynitrido-silicate, ca(2.89)si(2)n(1.76)o(4.24)
topic Inorganic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3246911/
https://www.ncbi.nlm.nih.gov/pubmed/22219731
http://dx.doi.org/10.1107/S1600536811042607
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