Journal of Applied Crystallography

Volume 39, Part 2 (April 2006)

research papers

J. Appl. Cryst. (2006). 39, 169-175 [ doi:10.1107/S0021889805042457 ]

High-pressure X-ray investigation of zincite ZnO single crystals using diamond anvils with an improved shape

H. Sowa and H. Ahsbahs

Abstract: A high-pressure cell for single-crystal investigations requires large opening angles. If it does not contain any beryllium but only two diamonds mounted on steel backing plates, normally only lower pressures can be attained without risk of disruption of the diamond anvils [Ahsbahs (2004). Z. Kristallogr. 219, 305-308]. In order to enable pressures up to at least 10 GPa, specially shaped anvils were designed. In a first study with such anvils, the high-pressure behaviour of zincite ZnO was investigated up to the transition pressure of about 9.5 GPa. A slight decrease of the axial ratio c/a with increasing pressure was observed. The fit of the Birch-Murnaghan equation of state gave a bulk modulus K = 146.5 (8) GPa with a fixed pressure derivative K' = 4. During the phase transformation, the single crystals were destroyed. The pronounced preferred orientation of the obtained material, however, enabled the determination of the orientation relations between the low-pressure wurtzite-type and the high-pressure NaCl-type phase. The orientation relations are similar to those in CdS and CdSe.

Keywords: high pressure; diamond anvils; zinc oxide; zinc-blende type; orientation relations; phase transitions.


	Structure factor file (CIF format) (3.2 kbytes) [ doi:10.1107/S0021889805042457/ko5022zno0sup2.hkl ] Contains datablock zno0

	Structure factor file (CIF format) (3.2 kbytes) [ doi:10.1107/S0021889805042457/ko5022zno22sup3.hkl ] Contains datablock zno22

	Structure factor file (CIF format) (3.1 kbytes) [ doi:10.1107/S0021889805042457/ko5022zno45sup4.hkl ] Contains datablock zno45

	Structure factor file (CIF format) (3.0 kbytes) [ doi:10.1107/S0021889805042457/ko5022zno69sup5.hkl ] Contains datablock zno69

	Structure factor file (CIF format) (3.4 kbytes) [ doi:10.1107/S0021889805042457/ko5022zno87sup6.hkl ] Contains datablock zno87

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