Ab initio constrained crystal-chemical Rietveld refinement of Ca 10(VxP1-xO4)6F 2

Acta Crystallographica Section B: Structural Science

Volumn 63, Issue 1, 2007, Pages 37-48

  Mercier, Patrick H J ^a   Dong, Zhili ^b   Baikie, Thomas ^b   Le Page, Yvon ^a   White, T J ^b   Whitfield, Pamela S ^a   Mitchel, Lyndon D ^a  

^a NATIONAL RESEARCH COUNCIL CANADA   (Canada)

^b NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

Author keywords

Ab initio calculations; Apatite; Crystal chemistry; Crystal chemical constraints; Rietveld refinement; X ray powder diffraction

Indexed keywords

CHEMICAL BONDS; COMPUTER SIMULATION; CRYSTALLOGRAPHY; LEAST SQUARES APPROXIMATIONS; QUANTUM THEORY; VANADIUM; X RAY POWDER DIFFRACTION;

AB INITIO CALCULATIONS; APATITE; CRYSTAL CHEMICAL CONSTRAINTS; CRYSTAL CHEMISTRY; RIETVELD REFINEMENT;

CALCIUM COMPOUNDS;

EID: 33846555607     PISSN: 01087681     EISSN: 01087681     Source Type: Journal    
DOI: 10.1107/S0108768106045538     Document Type: Article

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