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 |
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]/(n – p)}1/2.