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Titolo:
PRESSURE-DEPENDENCE OF HYDROGEN-BONDING IN METAL DEUTEROXIDES - A NEUTRON POWDER DIFFRACTION STUDY OF MN(OD)(2) AND BETA-CO(OD)(2.)
Autore:
PARISE JB; THEROUX B; LI R; LOVEDAY JS; MARSHALL WG; KLOTZ S;
Indirizzi:
SUNY STONY BROOK,CHIPR STONY BROOK NY 11794 SUNY STONY BROOK,DEPT GEOSCI STONY BROOK NY 11794 UNIV EDINBURGH,DEPT PHYS & ASTRON EDINBURGH EH9 3JZ MIDLOTHIAN SCOTLAND UNIV PARIS 06,CNRS,URA 782 PARIS FRANCE
Titolo Testata:
Physics and chemistry of minerals
fascicolo: 2, volume: 25, anno: 1998,
pagine: 130 - 137
SICI:
0342-1791(1998)25:2<130:POHIMD>2.0.ZU;2-S
Fonte:
ISI
Lingua:
ENG
Soggetto:
STATIC COMPRESSION; SOLID HYDROXIDES; HARTREE-FOCK; BRUCITE; MG(OH)2; EQUATION; TEMPERATURE; DISORDER; STRENGTH; SPECTRA;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Science Citation Index Expanded
Citazioni:
41
Recensione:
Indirizzi per estratti:
Citazione:
J.B. Parise et al., "PRESSURE-DEPENDENCE OF HYDROGEN-BONDING IN METAL DEUTEROXIDES - A NEUTRON POWDER DIFFRACTION STUDY OF MN(OD)(2) AND BETA-CO(OD)(2.)", Physics and chemistry of minerals, 25(2), 1998, pp. 130-137

Abstract

The structures of deuterated pyrochroite, Mn(OD)(2) and beta-Co(OD)(2) have been refined using the Rietveld method and neutron powder diffraction data collected in an opposed-anvil high pressure (Paris-Edinburgh) cell from room pressure to 9 GPa. The equation of state for Mn(OD)(2) was determined (K=41(3) GPa for fixed K'=4.7) and found to be consistent with previous studies of the isostructural brucite, Mg(OD)(2). The com pressibility of beta-Co(OD)(2) on the other hand is apparentlyanomalous, The c-axis initially decreases at 3 times the rate of decrease of the a-axis; the ratio decreases to about 1.5 at an estimated 6GPa before increasing again beyond this pressure. There is no obviouscorresponding anomaly in the details of the atomic structure. In bothmaterials there is an increase in the D-site disorder with pressure. A split-site model for the D-positions best fits the data at pressuresabove 8 GPa. There is no statistically significant increase in the O-D interatomic distance at increased pressure while the hydrogen bonding interaction D...O appears to increase as this distance decreases andthe O-D..O angle increases. The intramolecular O-D bond valences, determined indirectly from the intermolecular D...O distances, decrease steadily for both materials as pressure is increased.

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Documento generato il 05/07/20 alle ore 00:02:32