Abstract
The room-temperature crystal structure of La1/3Zr2(PO4)3, synthesized by the Pechini sol−gel process, has been determined from X-ray powder and neutron diffraction data [space group P3, Z = 6, a = 8.7378(2) A, c = 23.2156(7) A]. It derives from the NASICON-structural type (space group R3c); if the [Zr2(PO4)3]- network is preserved, the two La3+ ions are found quasiordered along the c axis: 1 on the 1a (0, 0, 0), 0.82 on the 1b (0, 0, 1/2) sites, and the remaining 0.18 La3+ ions occupying partially a 2d site (1/3, 2/3, 0.667(5)). One and two dimensional 31P nuclear magnetic resonance (1D and 2D, respectively) investigations confirm this distribution.
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