Refinement of the Atomic Structure of Specimens Cut
Out from Different Growth Pyramids
of a K(H_0.052D_0.948)₂PO₄ Single Crystal

L. F. Malakhova*, A. E. Voloshin*, C. C. Wilson**, E. B. Rudneva*,
N. G. Furmanova*, and V. I. Simonov*

* Shubnikov Institute of Crystallography, Russian Academy of Sciences,
Leninski pr. 59, Moscow, 119333 Russia

e-mail: malakhova@ns.crys.ras.ru

** Rutherford Appleton Laboratory, Chilton, Didcot, UK

Received September 9, 2002

Abstract—The structures of two crystalline specimens cut out from the pyramidal and prismatic growth sectors
of a K(H_0.052D_0.948)₂PO₄ single crystal have been studied by diffuse neutron scattering and precision diffuse
Xray scattering. Diffuse scattering is concentrated in the vicinity of the Bragg reflections and is practically the
same in specimens cut out from different growth sectors of a single crystal. X-ray diffraction analysis using the
extinction parameters provided the establishment of a higher perfection of the specimen cut out from the pris-
matic growth sector. The precision X-ray studies revealed different configurations of hydrogen bonds in the
specimens. © 2003 MAIK “Nauka/Interperiodica”.

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