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Republic Correspondence e-mail
Acta Cryst. (2003). B59, 17±27 Alla Arakcheeva et al. K3In(PO4)2 17
research papers
Acta Crystallographica Section B
Structural
Science
ISSN 0108-7681
The incommensurate structure of K3In(PO4)2
Alla Arakcheeva,a,b Gervais
Chapuis,a* Vaclav Petr???c?ek,a,c
Michal Dus?eka,c and Andreas
Schoènlebera
aUniversite? de Lausanne, Institut de Cristallo-
graphie, BSP Dorigny, CH-1015 Lausanne,
Switzerland, bBaikov Institute of Metallurgy,
RAS, 119991 Moscow, Russia, and cInstitute of
Physics, Academy of Science of the Czech
Republic, Na Slovance 2, 182 21 Praha, Czech
Republic
Correspondence e-mail:
gervais.chapuis@ic.unil.ch
# 2003 International Union of Crystallography
Printed in Great Britain ± all rights reserved
The incommensurately modulated structure of K3In(PO4)2
has been solved and re?ned. The origin of the modulation
relates to the ordering of K cations within the hexagonal close
packing of the PO4 anions. The driving forces for the
modulation of the other cations are InDP and KDP
interactions. The modulation of O atoms of rigid PO4 units
follows the cations in order to stabilize the InO6 octahedron. It
is shown that the previously published three-dimensional
structure re?ned from powder diffraction data obtained at
room temperature is an average structure. Therefore the
incommensurately modulated phase of K3In(PO4)2 is the only
one that has been unequivocally identi?ed at room tempera-
ture. The origin of the modulation is discussed in comparison
with the structures of Na3InP2, - and -Na3In(PO4)2,
Na3Fe(PO4)2 and Rb3In(PO4)2.
Received 31 August 2002
Accepted 19 November 2002
1. Introduction
Potassium indium double phosphate, K3In(PO4)2, was ?rst
obtained (Zhizhin et al., 2002) as powder and single-crystal
specimens by sintering In2O3, KH2PO4 and K2CO3 at the
temperatures 1173 K and 1473 K, respectively. Preliminary
X-ray investigation (Zhizhin et al., 2002) gave identical
monoclinic unit cells for both powder and single-crystal
specimens. In addition, a few wea
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