Reference : Modulated misfit structure of the thermoelectric [Bi0.84CaO 2]2[CoO2]1.69 cobalt oxide
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Chemistry
http://hdl.handle.net/2268/140308
Modulated misfit structure of the thermoelectric [Bi0.84CaO 2]2[CoO2]1.69 cobalt oxide
English
Muguerra, H. [Laboratoire CRISMAT (UMR CNRS 6508), ENSICAEN, 6 Bd Maréchal Juin, 14050 Caen Cedex, France]
Grebille, D. [Laboratoire CRISMAT (UMR CNRS 6508), ENSICAEN, 6 Bd Maréchal Juin, 14050 Caen Cedex, France]
Guilmeau, E. [Laboratoire CRISMAT (UMR CNRS 6508), ENSICAEN, 6 Bd Maréchal Juin, 14050 Caen Cedex, France]
Cloots, Rudi [Université de Liège - ULiège > Département de chimie (sciences) > LCIS - GreenMAT >]
2008
Inorganic Chemistry
American Chemical Society
47
7
2464-2471
Yes (verified by ORBi)
0020-1669
1520-510X
Washington
DC
[en] The structure of the thermoelectric lamellar misfit cobalt oxide [Bi 0.84CaO2]2[CoO2]1.69 has been refined using single crystal X-ray diffraction data. Using the four dimensional superspace formalism for aperiodic structures, the superspace group is confirmed P2/m(0δ1/2) (a1 = 4.9069(4), b1 = 4.7135(7), b2 = 2.8256(4), c1 = 14.668(5) Å, β1 = 93.32(1)°). The modulated displacements and site occupancies have been refined and are both compatible with the misfit character of the structure, and with a longitudinal modulation of the Bi-O layers of the structure. This modulation is similar to the corresponding one in the related Sr phase [Bi0.87SrO2]2[CoO2]1.82, but now oriented in the orthogonal direction. Because its incommensurate wavelength is locked with the aperiodicity of the misfit structure, it is possible to distinguish between the modulation parameters induced by the accommodation of both subsystems and those related to the longitudinal modulation of the Bi-O layers. In this original structure, two independent aperiodic phenomena coexist in an single crystallographic direction. A particular attention has been paid to the structural configuration of the CoO2 layer, in relation with other similar phases. The thermoelectric properties are probably directly related to the specific distortion of the compressed layer, but the different measured values for the Seebeck coefficient cannot be related to a significant modification of the CoO6 octahedra. © 2008 American Chemical Society.
http://hdl.handle.net/2268/140308
10.1021/ic701717f

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