Crystal structure and phase transformations of calcium yttrium orthophosphate, Ca3Y(PO4)3

Crystal structure and phase transformations of calcium yttrium orthophosphate Ca3Y(PO4)3 were investigated by X-ray powder diffraction, selected-area electron diffraction, transmission electron microscopy and optical microscopy. The high-temperature phase is isostructural with eulytite, cubic (space group I4¯3d) with a=0.983320(5) nm, V=0.950790(8) nm3, Z=4 and Dx=3.45 Mg m−3. The crystal structure was refined with a split-atom model, in which the oxygen atoms are distributed over two partially occupied sites. Below the stable temperature range of eulytite, the crystal underwent a martensitic transformation, which is accompanied by the formation of platelike surface reliefs. The inverted crystal is triclinic (space group P1) with a=1.5726(1) nm, b=0.84267(9) nm, c=0.81244(8) nm, α=109.739(4)°, β=90.119(5)°, γ=89.908(7)°, V=1.0134(1) nm3, Z=4 and Dx=3.24 Mg m−3. The crystal grains were composed of pseudo-merohedral twins. The adjacent twin domains were related by the pseudo-symmetry mirror planes parallel to {101¯} with the composition surface {101¯}. When the eulytite was cooled relatively slowly from the stable temperature range, the decomposition reaction of Ca3Y(PO4)3→β-Ca3(PO4)2+YPO4 occurred.

Graphical abstractPart of the Ca3Y(PO4)3 structure, viewed along [001].Figure optionsDownload full-size imageDownload as PowerPoint slide