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. 2015 Apr 28;46(7):661–668. doi: 10.1002/jrs.4705

Table 1.

Unit cell parameters and results of the Rietveld refinement for Cs2RuO4 (crystalline powder) compared with those from single crystal14

Formula unit Cs2RuO4
This work Fischer and Hoppe14
a 8.506(1) Å 8.512(1) Å
b 6.472(1) Å 6.475(1) Å
c 11.460(1) Å 11.458(2) Å
V 630.9 Å3 631.5 Å3
Space group Pnma (N°= 62) Pnma (N°= 62)
Z 4 4
Refined parameters 67
Rwp 4.53%
RP 3.11%
RB 7.50%
Rexp 2.13%
GOF 2.11

RP = Σ[yi(obs) − yi(calc)]/Σyi(obs); Rwp = {Σwi[yi(obs) − yi(calc)]2/Σyi(obs)}1/2.

RB = Σ[Ihkl(obs) − Ihkl(calc)]/ΣIhkl(obs); GOF = Rwp/Rexp.

GOF, Goodness of the Fit.