P. Vigoureux et al., A SYSTEMATIC NEUTRON-DIFFRACTION STUDY OF RE(2)CUO(4-DELTA) (RE=PR, ND, EU), Physica. C, Superconductivity, 235, 1994, pp. 1263-1264
The influence of the rare earth (RE) on the structure of the T' phase
has been investigated by single crystal neutron diffraction. There is
an intrinsic instability of the T' phase against a deformation of the
CuO2 planes which is characterised by the rotation of the O-squares ar
ound the c-axis. As it can be seen from the atomic displacement parame
ters of the in plane oxygen, this instability increases with decreasin
g ionic radius of the RE. The evolution of structural parameters as a
function of temperature has been measured for RE = Pr and Nd in order
to analyse statical contributions to the Debye-Waller factors. The oxy
gen loss in the Cu-planes of Nd2CuO4-delta is derived (delta=0.046(13)
) from the structural parameters obtained for the same single crystal
before and after reduction. The other oxygen site remains unchanged wi
th respect to thermal parameters and occupancy. The existance of an ex
tra apical oxygen claimed in the literature has not been observed.