Ionic conduction, bond valence analysis of structure-property relationships of NaHoP2O7
Abstract
Single crystals of NaHoP2O7 diphosphate have been prepared by the flux method and its structural and physical properties have been investigated. It crystallizes in the monoclinic system with the space group P21/n and its parameters are: a=8.6796(4) Å, b=5.3677(2) Å, c=13.6904(6) Å, β=106.120° (2), V=612.75 (5) Å3, Z=4. The structure of NaHoP2O7 consists of a three-dimensional framework of HoO6 octahedra, linked by P2O7 diphosphate units, forming tunnels running parallel to [0 1 0], which are occupied by Na atoms. The infrared and Raman vibrational spectra have been investigated. Activation energy was obtained from Arrhenius plots (Ln σT versus 1000/T) and found to be 1.27 eV. The coupling of the structural analysis with the BVS model for NaHoP2O7 has better interpret the measurements of the ionic conductivity and the most probably transport pathway model was determined.
- Publication:
-
Journal of Solid State Chemistry France
- Pub Date:
- August 2013
- DOI:
- 10.1016/j.jssc.2013.05.032
- Bibcode:
- 2013JSSCh.204..224B