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. 2021 Jan 21;77(Pt 1):68–82. doi: 10.1107/S205252062001584X

Table 1. Rietveld refinement of NaOEt in P4/nmm and P Inline graphic21 m under identical conditions, with restrained H-atom positions and a 2θ range of 2–60°.

The values marked by a ′ are background-subtracted values. N(param) is the number of structural parameters, including the occupancy parameter.

  P4/nmm P Inline graphic21 m P Inline graphic21 m with both orientations of Et
R wp (%) 4.320 4.146 4.149
R wp′ (%) 16.98 16.30 16.30
R p (%) 3.205 3.122 3.126
R p′ (%) 18.21 17.74 17.75
Goodness-of-fit 2.016 1.935 1.936
N(param) 13 13 13 + 1 (occupancy)
Occupancy of the ethyl group 0.25 (fixed) 0.5 (fixed) 0.476 (6):0.024 (6)