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1 Department of Mineralogy, Natural History Museum, Cromwell Road, London SW7 5BD, U.K.
2 ISIS Science Division, Rutherford Appleton Laboratory, Chilton, Didcot, OX11 0QX, U.K.
3 Department of Soil Science, School of Human and Environmental Sciences, The University of Reading, Whiteknights, Reading, RG6 6DW, U.K.
Correspondence: * E-mail: pfs{at}nhm.ac.uk
The lattice parameters extracted from Lebail analysis of neutron powder diffraction data collected between 2 and 300 K have been used to calculate the temperature evolution of the thermal expansion tensor for hopeite, Zn3(PO4)2·2H2O, Pnma, Z = 4 with a = 10.6065(4) Å, b = 18.2977(4) Å, c = 5.0257(2) Å at 275 K. The a lattice parameter shows a negative thermal expansion, the b lattice parameter appears to saturate at 275 K while the c lattice parameter has a more typical positive thermal expansion. At 275 K, the magnitudes of the thermal expansion coefficients are
a = 1.1(4) x 105 K1,
b = 2.4(9) x 106 K1 and
c = 3.6(2) x 105 K1. Under the conditions of these experiments, hopeite begins to dehydrate to the dihydrate between 300 and 325 K, and between 480 and 500 K the monohydrate is formed. The thermal expansion of the dihydrate has been calculated between 335 and 480 and at 480 K the magnitudes of the thermal expansion coefficients are
a = 1(2) x 105 K1,
b = 4(1) x 106 K1,
c = 4(2) x 105 K1,
ß= 1(1) x 105 K1, and
V = 2(2) x 105 K1. The thermal expansion of hopeite is described in terms of its crystal structure and possible dehydration mechanisms for the
and ß modifications of hopeite are discussed.
Key Words: Hopeite thermal expansion dehydration neutron diffraction
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