International Scholarly Research Notices / 2011 / Article / Tab 1

Research Article

Rapid Synthesis and Characterization of an Oxygen-Deficient Defect Perovskite L a πŸ’ B a C u πŸ“ O 𝟏 πŸ‘ + 𝜹 Phase

Table 1

Rietveld refined structural parameters for La4BaCu5O13.20 compound.

AtomsOxidation stateWyckoff notations π‘₯ 𝑦 𝑧 Occupancy

La13(4k)0.1280(2)0.2780(2)0.50001
Ba12(1d)0.50000.50000.50001
Cu12.44(1a)0.00000.00000.00001
Cu22.44(4j)0.4165(5)0.1719(4)0.00001
O1βˆ’2(1b)0.00000.00000.50001
O2βˆ’2(2e)0.00000.50000.00000.10
O3βˆ’2(4j)0.2822(2)0.3936(6)0.00001
O4βˆ’2(4j)0.2244(3)0.0551(5)0.00001
O5βˆ’2(4k)0.4119(8)0.1501(9)0.50001

Crystal system = tetragonal, lattice parameters, a = 8.6508(1), c = 3.8606(2); space group = P4/m (no. 83); R factors, 𝑅 𝑝 = 3 . 7 2 , 𝑅 𝑀 𝑝 = 5 . 2 7 ,   𝑅 𝐡 π‘Ÿ π‘Ž 𝑔 𝑔 = 5 . 1 2 , 𝑅 𝐹 = 4 . 9 7 .

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