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. 2016 Jan 1;3(Pt 1):20–31. doi: 10.1107/S2052252515018722

Table 3. The parameters used for building the initial starting model crystal for use with RMC, based on the PDFgui fit to the neutron PDF at 300 K.

Parameter Value
a (Å) 4.0595
α (°) 89.865
Pbx,y,z 0
Zn/Nbx,y,z 0.5303
Ox 0.0362
Oy,z 0.5543
B Pb 3.1540
B Zn/Nb 0.8762
B O 1.6053