Neutron diffraction studies on Ca1-e?‘￥Bae?‘￥Zr4P6O24 solid solutions

摘要

Herein we report the results of detailed crystallographic studies of Ca1-e?‘￥Bae?‘￥Zr4P6O24 compositions from combined Rietveld refinements of powder X-ray and neutron diffraction data. All the studied compositions crystallize in rhombohedral lattice (space group R-3 No. 148). A continuous solid solution is concluded from the systematic variation of unit cell parameters. The variation of unit cell parameters with the composition indicates decreasing trend in e?‘? parameter with increasing Ba2+ concentration contrast to an increasing trend in e?‘? parameter.