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Redetermination of EuScO3

2009, Kahlenberg, V., Maier, D., Veličkov, B.

Single crystals of europium(III) scandate(III), with ideal formula EuScO3, were grown from the melt using the micro-pulling-down method. The title compound crystallizes in an ortho-rhom-bic distorted perovskite-type structure, where Eu occupies the eightfold coordinated A sites (site symmetry m) and Sc resides on the centres of corner-sharing [ScO6] octa-hedra (B sites with site symmetry ). The structure of EuScO3 has been reported previously based on powder diffraction data [Liferovich & Mitchell (2004). J. Solid State Chem. 177, 2188-2197]. The results of the current redetermination based on single-crystal diffraction data shows an improvement in the precision of the structral and geometric parameters and reveals a defect-type structure. Site-occupancy refinements indicate an Eu deficiency on the A site coupled with O defects on one of the two O-atom positions. The crystallochemical formula of the investigated sample may thus be written as A(0.032Eu0.968)BScO2.952.

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Crystal structure of samarium-strontium-calcium orthoaluminotantalate, (Sm0.40Sr0.50Ca0.10)(Al0.70Ta 0.30)O3

2010, Gesing, T.M., Uecker, R., Zheng, W., Buhl, J.-C.

Al2.90Ca0.45O12Sm 1.59Sr2Ta1.10, tetragonal, I4 (no. 82), a = 5.4174(8) Å, c = 7.643(2) Å, V = 224.3 Å3, Z = 1, Rgt(F) = 0.039, wRref(F 2) = 0.1258 , T = 298 K. © 2014 Oldenbourg Wissenschaftsverlag, München.

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Redetermination of terbium scandate, revealing a defect-type perovskite derivative

2008, Veličkov, B., Kahlenberg, V., Bertram, R., Uecker, R.

The crystal structure of terbium(III) scandate(III), with ideal formula TbScO3, has been reported previously on the basis of powder diffraction data [Liferovich & Mitchell (2004). J. Solid State Chem. 177, 2188-2197]. The current data were obtained from single crystals grown by the Czochralski method and show an improvement in the precision of the geometric parameters. Moreover, inductively coupled plasma optical emission spectrometry studies resulted in a nonstoichiometric composition of the title compound. Site-occupancy refinements based on diffraction data support the idea of a Tb deficiency on the A site (inducing O defects on the O2 position). The crystallochemical formula of the investigated sample thus may be written as A(0.04Tb0.96) BScO2.94. In the title compound, Tb occupies the eightfold- coordinated sites (site symmetry m) and Sc the centres of corner-sharing [ScO6] octa-hedra (site symmetry ). The mean bond lengths and site distortions fit well into the data of the remaining lanthanoid scandates in the series from DyScO3 to NdScO3. A linear structural evolution with the size of the lanthanoid from DyScO3 to NdScO3 can be predicted.

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Refinement of the crystal structure of praseodymium orthoscandate, PrScO3

2009, Gesing, T.M., Uecker, R., Buhl, J.-C.

O3PrSc, Prima (no. 62), a = 5.780(1) Å, b = 8.025(2) Å, c = 5.608(1) Å, V= 260.1 Å3, Z = 4, R gr(F) = 0.025, wRref(F2) = 0.060, T= 298 K. © by Oldenbourg Wissenschaftsverlag, München.