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. 2023 Jun 5;62(24):9350–9359. doi: 10.1021/acs.inorgchem.3c00251

Table 2. Unit Cell Parameters and Results of the Rietveld Refinement for AmVO3 and AmVO4a.

formula unit AmVO3 AmVO4 AmVO4 (Keller et al.(7)) AmVO4 (Goubard et al.(20))
space group Pbnm I41/amd I41/amd I41/amd
space group number 62 141 141 141
a, Å 5.4445(3) 7.2938(2) 7.31(1) 7.311(2)
b, Å 5.5914(3) 7.2938(2) 7.31(1) 7.311(2)
c, Å 7.7556(4) 6.4284(2) 6.42(1) 6.422(2)
α, ° 90 90 90 90
β, ° 90 90 90 90
γ, ° 90 90 90 90
V, Å3 236.10(2) 341.992(10) 343 343.26
Z 4 4 4 4
M, g/mol 340.00 356.00 356.00 356.00
crystallographic density, g/cm3 9.565 6.9142 6.89 6.89
GOF 1.57 2.15    
RP 0.0106 0.0154    
Rwp 0.0150 0.0254    
Rexp 0.0068 0.0072    
a

Rp = Σ(i)[|yi(obs) – yi(calc)|]/Σ(i)[yi(obs)]; Rwp = {Σ(i)[wi(yi(obs) – yi(calc))2]/Σ(i)[wi × yi(obs)2]}1/2; GOF = Rp/Rexp; Rexp = {Σ(i)[wi × yi(obs)2]/(np)}1/2.