Crystal structure of the high-temperature superconductor TI2Ba2CaCu2O8

Subramanian, M. A. ; Calabrese, J. C. ; Torardi, C. C. ; Gopalakrishnan, J. ; Askew, T. R. ; Flippen, R. B. ; Morrissey, K. J. ; Chowdhry, U. ; Sleight, A. W. (1988) Crystal structure of the high-temperature superconductor TI2Ba2CaCu2O8 Nature, 332 . pp. 420-422. ISSN 0028-0836

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High-temperature superconductivity has gained renewed attention following recent reports of the onset of superconductivity above 100 K in oxide systems containing copper, alkaline earths and bismuth or thallium. The superconducting oxide in the Bi-Sr-Ca-Cu-O system has been identified as Bi2Sr3-xCaxCu2O8, and its structure comprises pairs of CuO2 sheets, interleaved by Ca(Sr), alternating with double bismuth-oxide layers, Hazen et al. have identified two new superconducting phases, Tl2Ba2Ca2Cu3O10 (2223) and Tl2Ba2CaCu2O8 (2212), both with tetragonal or pseudotetragonal structures that are probably related to the structure of Bi2Sr3-xCaxCu2O8. Here we present X-ray diffraction data for a single crystal of the 2212 phase, which has an onset temperature of 112 K. The crystal structure, based on a body-centred tetragonal cell with a =3.8550(6) Å and c = 29.318(4) Å (space group I4/mmm), is essentially the same as that of Bi2Sr3-xCaxCu2O8 and comprises double copper-oxygen sheets alternating with double thallium-oxygen layers. There are Ca2+ cations between adjacent Cu-O sheets and Ba2+ cations between the Cu-O and Tl-O layers. The copper-oxygen chains present in YBa2Cu3O7 are absent in Tl2Ba2CaCu2O8.

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