Skip to main content
. 2022 Jan 28;12(6):3696–3707. doi: 10.1039/d1ra07574h

Structural parameters for Li0.94FePO3.84N0.16 (N-LFP) after the Rietveld refinement of NPD data at RT. Space group Pnma; a = 10.323(1), b = 6.0050(9), c = 4.6930(6) Å, V = 290.93(7) Å3a.

Atom Site x y z f occ B iso2)
Li 4a 0 0 0 0.94(2) 1.71(9)
Fe 4c 0.2828(7) 0.25 0.982(2) 1.0 1.21(1)
P 4c 0.096(1) 0.25 0.414(2) 1.0 0.40(2)
O1 4c 0.098(1) 0.25 0.743(2) 1.0 0.57(1)
O2 4c 0.459(1) 0.25 0.214(3) 0.84(4) 0.57(1)
N 4c 0.459(1) 0.25 0.214(3) 0.16(4) 0.57(1)
O3 8d 0.164(1) 0.0467(1) 0.2849(17) 1.0 0.57(1)
a

Reliability factors: Rp = 1.41%, Rwp = 1.76%, Rexp = 1.83%, χ2 = 0.932, RBragg = 5.32%.