A neutron diffraction study of LaBa2Cu3O7−δ

Sequeira, A. ; Rajagopal, H. ; Ganapathi, L. ; Rao, C. N. R. (1988) A neutron diffraction study of LaBa2Cu3O7−δ Journal of Solid State Chemistry, 76 (1). pp. 235-239. ISSN 0022-4596

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Official URL: http://linkinghub.elsevier.com/retrieve/pii/002245...

Related URL: http://dx.doi.org/10.1016/0022-4596(88)90213-7


The correlation between structure and oxygen content in the LaBa2Cu3O7−δ was investigated by neutron powder diffraction. It is shown that the structure is orthorhombic (Pmmm) when δ=−0.04 and tetragonal (P4/mmm) when δ=−0.06. Such a change in structure accompanying a very small variation in oxygen stoichiometry is remarkable. In the orthorhombic structure of the δ=−0.04 sample, there is 70% oxygen occupancy for the linear chain site (0,0,½) and 34% for the (½,0,0) site. The La sites have 13.6% Ba when δ=−0.04 and 11.2% Ba when δ=−0.06; the Ba sites have 10% La in both cases.

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