C. Michel et al., NEUTRON-DIFFRACTION STRUCTURE DETERMINATION OF THE SUPERCONDUCTING COPPER OXYCHROMATE TL-3(CRO4)SR8CU4O16, Physica. C, Superconductivity, 262(3-4), 1996, pp. 159-167
The structure of the superconducting copper oxychromate Tl-3(CrO4)Sr8C
u4O16 has been determined from powder neutron diffraction data. This c
ompound derives from the ''1201'' classical structure by an ordered su
bstitution of CrO4 groups for thallium oxygen polyhedra showing defini
tively that chromium is hexavalent, The main features that characteriz
e this original structure deal with the waving character of the [CuO2]
(infinity) layers, and the absolute planar character of the [(TlCr),O]
(infinity), layers. In the [(TlCr),O](infinity) layers, the thallium a
nd oxygen atoms form triple ribbons of edge-sharing TIO4 tetrahedra an
d TIO6 octahedra running along alpha, whereas the CrO4 tetrahedra are
displayed in rows running along alpha, but are disconnected from each
other and from the other polyhedra in the layer. Two kinds of CuO6 oct
ahedra are observed, whose distortions originate from their connection
with different polyhedra along c. The great flexibility of the two ki
nds of layers, and the structural analogy with copper oxycarbonates ar
e emphasized.