Table 3. Rietveld refinement of NaOⁿPr in P4/nmm and P 2₁ m under identical conditions, with restraints on the C and H atoms.

The values marked by a ′ are background-subtracted values. The last column denotes a refinement in P 2₁ m with two sets of propyl groups, one corresponding to the orientation in P 2₁ m and the other rotated by 90°, which is occupied in P4/nmm, but empty in P 2₁ m. N(param) is the number of structural parameters, including the occupancy parameter.

	P4/nmm	P 21 m	P 21 m with both orientations of nPr
R wp (%)	5.424	5.654	5.386
R wp′ (%)	17.953	18.714	17.832
R p (%)	4.198	4.376	4.238
R p′ (%)	18.139	18.908	18.324
Goodness-of-fit	1.837	1.915	1.824
N(param)	18	18	18 + 1 (occupancy)
Occupancy p	0.25 (fix)	0.5 (fix)	0.38 (3):0.12 (3)