A carbonate-fluoride defect model for carbonate-rich fluorapatite

American Mineralogist

Volumn 98, Issue 5-6, 2013, Pages 1066-1069

  Yi, Haohao ^a   Balan, Etienne ^a   Gervais, Christel ^b   Segalen, Loïc ^c   Fayon, Franck ^d   Roche, Damien ^c   Person, Alain ^c   Morin, Guillaume ^a   Guillaumet, Maxime ^a   Blanchard, Marc ^a   Lazzeri, Michele ^a   Babonneau, Florence ^b  

^a UNIVERSITÉ PIERRE ET MARIE CURIE   (France)

^b UNIVERSITÉ PIERRE ET MARIE CURIE   (France)

^c SORBONNE UNIVERSITÉ   (France)

^d Centre National de la Recherche Scientifique   (France)

Author keywords

Apatite; Carbonate; First principles calculation; FTIR; NMR

Indexed keywords

APATITE; CALCULATIONS; CARBONATES; DEFECTS; DENSITY FUNCTIONAL THEORY; FLUORINE COMPOUNDS; FOURIER TRANSFORM INFRARED SPECTROSCOPY; GEOMETRY; IONS; MAGIC ANGLE SPINNING; NUCLEAR MAGNETIC RESONANCE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

COMPOSITE CARBONATES; FIRST-PRINCIPLES CALCULATION; FTIR; MAGIC ANGLE SPINNING NUCLEAR MAGNETIC RESONANCE; MICROSCOPIC MODELING; ROTATIONAL ECHO DOUBLE RESONANCE; STRUCTURAL CHANNELS; TETRAHEDRAL PHOSPHATES;

CARBONATION;

APATITE; CARBONATE GROUP; DEFECT; FLUORAPATITE; FLUORIDE; FTIR SPECTROSCOPY; SUBSTITUTION;

EID: 84878267257     PISSN: 0003004X     EISSN: 19453027     Source Type: Journal    
DOI: 10.2138/am.2013.4445     Document Type: Article

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