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Crystallographic description of phases in the Y-Ba-Cu-O superconductor

R. M. Hazen, L. W. Finger, R. J. Angel, C. T. Prewitt, N. L. Ross, H. K. Mao, C. G. Hadidiacos, P. H. Hor, R. L. Meng, C. W. Chu

DOI 10.1103/PhysRevB.35.7238 · Physical Review B

T1

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Abstract

Single-crystal x-ray techniques were used to determine two structures that comprise the Y-Ba-Cu-O superconductor. A green phase has the orthorhombic Y2BaCuO5 structure. An opaque phase (YBa2Cu3O6+x, 0≤x≤1.0) is tetragonal (a=3.859 Å, c=11.71 Å; space group P4¯m2;Z=1). The structure is related to a 1:1:3 ABO3 perovskite: Ba and Y order in A sites and Cu is in B sites. Systematic oxygen vacancies between adjacent copper atoms lead to a fivefold-coordinate Cu in proximity to Y and a twofold-coordinate Cu in the vicinity of the Ba site.

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FormulaReported Tc (K)Pressure (GPa)Type
YBa2Cu3O6+x

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93Pressure not reportedunknown

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