Acta Crystallographica Section B

Structural Science

Volume 63, Part 6 (December 2007)

research papers


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Acta Cryst. (2007). B63, 819-827    [ doi:10.1107/S0108768107049385 ]

Equilibrium langbeinite-related phosphates Cs1 + xLnxZr2 - x(PO4)3 (Ln = Sm-Lu) in the melted systems Cs2O-P2O5-LnF3-ZrF4

I. V. Ogorodnyk, V. N. Baumer, I. V. Zatovsky, N. S. Slobodyanik, O. V. Shishkin and K. V. Domasevitch

Abstract: Nine novel phosphates, based upon a combination of caesium, zirconium and lanthanide ions, were obtained from fluoride-containing fluxes using high-temperature crystallization. The structures of Cs1.80Eu0.80Zr1.20(PO4)3 (CsEuZrP), Cs1.79Gd0.79Zr1.21(PO4)3 (CsGdZrP), Cs1.87Tb0.87Zr1.13(PO4)3 (CsTbZrP), Cs1.67Dy0.67Zr1.33(PO4)3 (CsDyZrP), Cs1.75Ho0.75Zr1.25(PO4)3 (CsHoZrP), Cs1.78Er0.78Zr1.22(PO4)3 (CsErZrP), Cs1.70Tm0.70Zr1.30(PO4)3 (CsTmZrP), Cs1.52Yb0.52Zr1.48(PO4)3 (CsYbZrP) and Cs1.63Lu0.63Zr1.37(PO4)3 (CsLuZrP) were solved using single-crystal X-ray diffraction. All compounds are isostructural to the mineral langbeinite (cubic system, space group P213). Their framework structures originate from the cross-linking of metal octahedra [MO6] (M = Zr, Ln) by phosphate tetrahedra. Cs+ cations are located in the closed cavities of the framework and preferentially occupy one of the two available sites. The principles of crystallization of the equilibrium langbeinite-related phosphates in the fluxes of the system Cs2O-P2O5-LnF3-ZrF4 (Ln = La-Nd, Sm-Lu) are discussed based on their crystal structures.

Keywords: langbeinite-related phosphates; flux technique; high-temperature crystallization.

hkldisplay filedownload file

Structure factor file (CIF format) (55.2 kbytes)
[ doi:10.1107/S0108768107049385/sx5073CsEuZrPsup2.hkl ]
Contains datablock CsEuZrP

hkldisplay filedownload file

Structure factor file (CIF format) (54.8 kbytes)
[ doi:10.1107/S0108768107049385/sx5073CsGdZrPsup3.hkl ]
Contains datablock CsGdZrP

hkldisplay filedownload file

Structure factor file (CIF format) (45.9 kbytes)
[ doi:10.1107/S0108768107049385/sx5073CsTbZrPsup4.hkl ]
Contains datablock CsTbZrP

hkldisplay filedownload file

Structure factor file (CIF format) (53.9 kbytes)
[ doi:10.1107/S0108768107049385/sx5073CsDyZrPsup5.hkl ]
Contains datablock CsDyZrP

hkldisplay filedownload file

Structure factor file (CIF format) (53.9 kbytes)
[ doi:10.1107/S0108768107049385/sx5073CsHoZrPsup6.hkl ]
Contains datablock CsHoZrP

hkldisplay filedownload file

Structure factor file (CIF format) (53.9 kbytes)
[ doi:10.1107/S0108768107049385/sx5073CsErZrPsup7.hkl ]
Contains datablock CsErZrP

hkldisplay filedownload file

Structure factor file (CIF format) (53.1 kbytes)
[ doi:10.1107/S0108768107049385/sx5073CsTmZrPsup8.hkl ]
Contains datablock CsTmZrP

hkldisplay filedownload file

Structure factor file (CIF format) (53.3 kbytes)
[ doi:10.1107/S0108768107049385/sx5073CsYbZrPsup9.hkl ]
Contains datablock CsYbZrP

hkldisplay filedownload file

Structure factor file (CIF format) (53.7 kbytes)
[ doi:10.1107/S0108768107049385/sx5073CsLuZrPsup10.hkl ]
Contains datablock CsLuZrP

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