The crystal structure of Y2P4O13 from X-ray powder diffraction data

L. S. Ivashkevich, A. S. Lyakhov, A. F. Selevich, D. Ilieva,  and A. I. Lesnikovich


The crystal structure of Y2P4O13 has been determined from X-ray powder diffraction data. Y2P4O13 crystallizes in the orthorhombic space group C2221 (No. 20) with a = 17.2817(7) Å, b = 6.9823(4) Å, c = 8.5391(3) Å, V = 1030.38(8) Å3, and Z = 4. The structure has been solved by direct methods using EXPO program and refined by FULLPROF package. The final RBragg value was 9.1%. The tetraphosphate anion has the point group 2 symmetry. The yttrium atom is seven-coordinated forming strongly distorted octahedron with one bifurcated vertex. There are infinite chains of oxygen-bridged ittrium atoms running parallel to the b axis and linked together by the tetraphosphate anions with formation of three-dimensional network.

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Zeitschrift für Kristallographie – Crystalline Materials offers a place for researchers to present results of their crystallographic studies. The journal includes theoretical as well as experimental research. It publishes Original Papers, Letters and Review Articles in manifold areas of crystallography.