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Powder neutron diffraction reveals a subtle triclinic distortion in the 300 K structure of the Y{sup 3+}/Ba{sup 2+} cation-ordered and Mn{sup 3+}/Mn{sup 4+} charge-ordered perovskite YBaMn{sub 2}O{sub 6}(Y{sub 0.5}Ba{sub 0.5}MnO{sub 3}). The refined structure shows a ferro-orbital ordering (FOO) in which d{sub z}{sup 2}-type orbitals associated with the Jahn-Teller Mn{sup 3+} states are oriented in a parallel fashion. This ground state has not previously been found in AMnO{sub 3} manganites, although the alternative antiferro-orbital ordering (AFOO) is commonly observed, for example, in the analog TbBaMn{sub 2}O{sub 6}. Lattice distortions that determine the balance between FOO and AFOO states result from the size mismatch between Y or Tb and Ba, and a high-temperature AFOO to FOO transition is evidenced in TbBaMn{sub 2}O{sub 6}.

physical review b

Ferro-orbital order in the charge- and cation-ordered manganite<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mi>YBaMn</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>6</mml:mn></mml:msub></mml:mrow></mml:math>

Ferro-orbital order in the charge- and cation-ordered manganiteYBaMn2O6