Cation substitution and strain screening in framework structures: The role of rigid unit modes
We use a combination of real-space geometric algebra and reciprocal space dynamical matrix analyses to study the effect of cation substitution on the framework geometries of β-quartz, cordierite and leucite. We show that the geometric stress associated with the substitution in these framework silica...
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| Format: | Journal article |
| Language: | English |
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2006
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| _version_ | 1826300302760869888 |
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| author | Goodwin, A Wells, SA Dove, M |
| author_facet | Goodwin, A Wells, SA Dove, M |
| author_sort | Goodwin, A |
| collection | OXFORD |
| description | We use a combination of real-space geometric algebra and reciprocal space dynamical matrix analyses to study the effect of cation substitution on the framework geometries of β-quartz, cordierite and leucite. We show that the geometric stress associated with the substitution in these framework silicates is absorbed by rigid-unit type motion of those coordination polyhedra near the substitution site. We find that the inherent flexibility of these structures enables screening of geometric stress, such that the associated energy cost is minimal and unlikely to influence substitution patterns. © 2005 Elsevier B.V. All rights reserved. |
| first_indexed | 2024-03-07T05:15:05Z |
| format | Journal article |
| id | oxford-uuid:dce5293a-0587-4722-8b95-a979696faf9a |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T05:15:05Z |
| publishDate | 2006 |
| record_format | dspace |
| spelling | oxford-uuid:dce5293a-0587-4722-8b95-a979696faf9a2022-03-27T09:21:00ZCation substitution and strain screening in framework structures: The role of rigid unit modesJournal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:dce5293a-0587-4722-8b95-a979696faf9aEnglishSymplectic Elements at Oxford2006Goodwin, AWells, SADove, MWe use a combination of real-space geometric algebra and reciprocal space dynamical matrix analyses to study the effect of cation substitution on the framework geometries of β-quartz, cordierite and leucite. We show that the geometric stress associated with the substitution in these framework silicates is absorbed by rigid-unit type motion of those coordination polyhedra near the substitution site. We find that the inherent flexibility of these structures enables screening of geometric stress, such that the associated energy cost is minimal and unlikely to influence substitution patterns. © 2005 Elsevier B.V. All rights reserved. |
| spellingShingle | Goodwin, A Wells, SA Dove, M Cation substitution and strain screening in framework structures: The role of rigid unit modes |
| title | Cation substitution and strain screening in framework structures: The role of rigid unit modes |
| title_full | Cation substitution and strain screening in framework structures: The role of rigid unit modes |
| title_fullStr | Cation substitution and strain screening in framework structures: The role of rigid unit modes |
| title_full_unstemmed | Cation substitution and strain screening in framework structures: The role of rigid unit modes |
| title_short | Cation substitution and strain screening in framework structures: The role of rigid unit modes |
| title_sort | cation substitution and strain screening in framework structures the role of rigid unit modes |
| work_keys_str_mv | AT goodwina cationsubstitutionandstrainscreeninginframeworkstructurestheroleofrigidunitmodes AT wellssa cationsubstitutionandstrainscreeninginframeworkstructurestheroleofrigidunitmodes AT dovem cationsubstitutionandstrainscreeninginframeworkstructurestheroleofrigidunitmodes |