Abstract

The NiO 6 octahedron in BaNiGd 2O 5 is tetragonally distorted with two short and four long bonds, and has a further 10° orthorhombic distortion of the angles in the equatorial plane. These distortions are shown to arise from the strain required to maintain commensurability between the Ni-O and Gd-O bonds along the a axis. The high strain energy in the structure is reduced by the relaxation of the d -electrons of the Ni atoms as shown by Burdett and Mitchell ( J. Am. Chem. Soc. 112, 6571 (1990)).

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