OH-F disorder in non-centrosymmetric Zn-2(BO3)(OH)(0.75)F-0.25: ab initio structure determination and NMR study; comparison with tridymite and fluoride borates (vol 305, pg 49, 2000)

Authors
Corbel, G Suard, E Emery, J Leblanc, M
Citation
G. Corbel et al., OH-F disorder in non-centrosymmetric Zn-2(BO3)(OH)(0.75)F-0.25: ab initio structure determination and NMR study; comparison with tridymite and fluoride borates (vol 305, pg 49, 2000), J ALLOY COM, 315(1-2), 2001, pp. 285
Citations number
31
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
JOURNAL OF ALLOYS AND COMPOUNDS
ISSN journal
09258388 → ACNP
Volume
315
Issue
1-2
Year of publication
2001
Database
ISI
SICI code
0925-8388(20010209)315:1-2<285:ODINZA>2.0.ZU;2-J
Abstract
The crystal structure of Zn-2(BO3)(OH)(0.75)F-0.25, is determined ab initio from X-ray and neutron powder data. The unit cell is monoclinic. space gro up P2(1), (no. 4), Z=2., with a=6.8738(4) Angstrom, b=4.91181(2) Angstrom, c=5.7018(3) Angstrom, beta =98.829(3) degrees V=190.46(3) Angstrom (3) (neu tron powder data). Alternating up and down ZnO3(OH3F) tetrahedra and triang ular BO33- groups built corrugated layers. Their connection by hydroxyl ion s fives a 3D network similar to that of tridymite. The statistical distribu tion of fluorine and hydroxyl in infinite chains is evidenced by magical an gle spinning-NMR spectroscopy. (C) 2001 Elsevier Science B.V. All rights re served.