Ab initio constrained crystal-chemical Rietveld refinement of Ca10 (VxP1 - xO4) 6F2 apatites

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DOIResolve DOI: http://doi.org/10.1107/S0108768106045538
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TypeArticle
Journal titleActa Crystallographica B.
Volume63
IssueFebruary 1
Pages3748; # of pages: 12
SubjectConcrete
AbstractIn this paper it is demonstrated that precise crystallographic information can be extracted from the X-ray diffraction profiles of vanadium-substituted fluorapatites (also known as fluorovanadinites) through constraining of the crystal-chemical refinement with the results of quantum mechanical optimization.
Publication date
LanguageEnglish
AffiliationNRC Institute for Research in Construction; National Research Council Canada
Peer reviewedYes
NRC number50565
19760
NPARC number20378227
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Record identifierfb774b04-b287-422b-b851-9bf5d5bd1749
Record created2012-07-24
Record modified2016-05-09
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