2024-03-29T00:20:38Zhttp://digital.csic.es/dspace-oai/requestoai:digital.csic.es:10261/1374442016-10-20T09:37:28Zcom_10261_28457com_10261_3col_10261_28462
DIGITAL.CSIC
author
Orlova, Maria
author
Khainakov, Sergei
funder
Ministry of Education and Science of the Russian Federation
2016-09-29T10:25:50Z
2016-09-29T10:25:50Z
2015
Journal of Solid State Chemistry 221: 224-229 (2015)
http://hdl.handle.net/10261/137444
10.1016/j.jssc.2014.09.037
http://dx.doi.org/10.13039/501100003443
CsMgPO4 doped with radioisotopes is a promising compound for usage as a radioactive medical source. However, a low temperature phase transition at temperatures close to ambient conditions (~−40 °C) was observed. Information about such kind of structural changes is important in order to understand whether it can cause any problem for medical use of this compound. The phase transition has been investigated in detail using synchrotron powder diffraction, Raman spectroscopy and DFT calculations. The structure undergoes a transformation from an orthorhombic modification, space group Pnma (RT phase) to a monoclinic polymorph, space group P21/n (LT phase). New LT modification adopts similar to RT but slightly distorted unit cell: a=9.58199(2) Å, b=8.95501(1) Å, c=5.50344(2) Å, β=90.68583(1)°, V=472.198(3) Å3. CsMgPO4 belongs to the group of framework compounds and is made up of strictly alternating MgO4- and PO4-tetrahedra sharing vertices. The cesium counter cations are located in the resulting channel-like cavities. Upon the transformation a combined tilting of the tetrahedra is observed. A comparison with other phase transitions in ABW-type framework compounds is given.
eng
closedAccess
Synchrotron powder diffraction
Crystal structures
Ab-initio structure solution
Radioactive medical source
Phase transition
Phosphates
Low temperature phase transition and crystal structure of CsMgPO4
artículo
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URL
https://digital.csic.es/bitstream/10261/137444/1/accesoRestringido.pdf
File
MD5
42637ae8545636bc41605c1740a9a84e
15753
application/pdf
accesoRestringido.pdf