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Nuclear magnetic resonance investigations of the structural phase transitions of AlPO4 tridymite

Published online by Cambridge University Press:  03 March 2011

Yuehui Xiao  and
R. James Kirkpatrick
Yuehui Xiao
Affiliation:
Department of Geology, University of Illinois, 1301 West Green Street, 245 Natural History Building. Urbana, Illinois 61801
R. James Kirkpatrick
Affiliation:
Department of Geology, University of Illinois, 1301 West Green Street, 245 Natural History Building. Urbana, Illinois 61801
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Abstract

27Al and 31P NMR spectroscopic data are presented for the tridymite polymorph of AlPO4 (AlPO4−1) through its structural phase transition at about 80 °C. The RT 27Al and 31P spectra of AlPO4−t both contain doublets of broad peaks, indicating two well-separated groups of sites in the RT structure with mean Al-O-P bond angles per tetrahedron of ∼ 147.8°and 153.1°(±1). With increasing temperature, the doublets remain the same up to about 74 °C, where the relative intensities of the two peaks start to change. The peak corresponding to smaller Al-O-P bond angles disappears, and above ∼88 °C the 27Al and 31P spectra contain single symmetrical peaks, corresponding to a mean Al-O-P bond angle of 153.4°. This bond angle increases gradually with increasing temperature to 153.7°at ∼150 °C and remains constant to about 500 °C. 27Al quadrupole echo experiments suggests that the 27Al nuclear quadrupole coupling constant (QCC) is small and decreases with increasing temperature. QCC remains nonzero in the high temperature phase of AlPO4−t, consistent with the previously proposed 3m local symmetry of Al in the high-temperature structure.

Type
Articles
Information
Journal of Materials Research , Volume 10 , Issue 10 , October 1995 , pp. 2586 - 2591
Copyright
Copyright © Materials Research Society 1995

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