M. Gutmann et al., Possible charge inhomogeneities in the CuO2 planes of YBa2Cu3O6+x (x=0.25,0.45,0.65,0.94) from pulsed neutron diffraction, PHYS REV B, 61(17), 2000, pp. 11762-11768
The atomic pair distribution functions (PDFs) of four powder samples of YBa
2Cu3O6+x (x = 0.25, 0.45, 0.65, 0.94) at 15 K have been measured by means o
f pulsed neutron diffraction. The PDF is modeled using a full-profile fitti
ng approach to yield structural parameters. In contrast to earlier x-ray ab
sorption fine structure work we find no evidence of a split apical oxygen s
ite. However, a slightly improved fit over the average crystallographic mod
el results when the planar Cu(2) site is split along the c direction. This
is interpreted in terms of charge inhomogeneities in the CuO2 planes.