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Pristine and hydrated fluoroapatite (0001)
Author(s) -
Torrelles Xavier,
Nadeem Immad M.,
Kupka Anna,
Crespo-Villanueva Adrián,
Meis Sandrina,
Gies Hermann,
Bikondoa Oier
Publication year - 2019
Publication title -
acta crystallographica section b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.604
H-Index - 33
ISSN - 2052-5206
DOI - 10.1107/s2052520619010412
Subject(s) - fluorapatite , adsorption , molecule , perpendicular , crystal (programming language) , diffraction , crystallography , layer (electronics) , materials science , surface layer , surface (topology) , chemistry , chemical physics , apatite , mineralogy , nanotechnology , organic chemistry , optics , geometry , mathematics , physics , computer science , programming language
The surface structure of fluoroapatite (0001) (FAp 0001 ) under quasi‐dry and humid conditions has been probed with surface X‐ray diffraction (SXRD). Lateral and perpendicular atomic relaxations corresponding to the FAp 0001 termination before and after H 2 O exposure and the location of the adsorbed water molecules have been determined from experimental analysis of the crystal truncation rod (CTR) intensities. The surface under dry conditions exhibits a bulk termination with relaxations in the outermost atomic layers. The hydrated surface is formed by a disordered partially occupied H 2 O layer containing one water molecule (33% surface coverage) adsorbed at each of the three surface Ca atoms, and is coupled with one OH group randomly bonded to each of the three topmost P atoms with a 33% surface coverage.