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. 2024 Feb 5;14(7):4835–4843. doi: 10.1039/d3ra08714j

Atomic coordinates and equivalent isotropic temperature factors for Na3Fe0.8V1.2(PO4)3 at room temperature.

Atom Site X Y Z Occ
Na (1) 6b 0.33330 0.66670 0.16670 0.134
Na (2) 18e 0.66670 0.96541 0.08330 0.366
V 12c 0.33330 0.66670 0.01895 0.202
Fe 12c 0.33330 0.66670 0.01895 0.125
P 18e −0.04392 0.33330 0.08330 0.500
O (1) 36f 0.14124 0.49766 0.07922 1.000
O (2) 36f 0.54438 0.84486 −0.02703 1.000