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Structural Implications of Spin, Charge, and Orbital Ordering in Rubidium Sesquioxide, Rb4O6

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Sans,  A.
Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Fecher,  Gerhard H.
Gerhard Fecher, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Felser,  Claudia
Claudia Felser, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Jansen,  Martin
Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Citation

Sans, A., Nuss, J., Fecher, G. H., Mühle, C., Felser, C., & Jansen, M. (2014). Structural Implications of Spin, Charge, and Orbital Ordering in Rubidium Sesquioxide, Rb4O6. Zeitschrift für anorganische und allgemeine Chemie, 640(7), 1239-1246. doi:10.1002/zaac.201400125.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0028-66E9-1
Abstract
Rb4O6 displays mixed valency on the anionic lattice and an open p-shell electronic configuration. At ambient conditions, it exists in a disordered ground state structure, featuring three different potential ordering parameters related to phase transitions driven by charge, orbital and spin ordering. The possible paths of symmetry descent are analyzed by elaborating the respective group-subgroup relations between space groups, including the implications that would result from magnetic ordering. Experimentally, a lower symmetry modification was discovered and characterized by single-crystal X-ray diffraction [I (4) over bar, Z = 4, a = 8.688(6), c = 10.362(7) angstrom, R-1 = 0.055, 787 independent reflections]. The symmetry reduction involved follows one branch of the B rnighausen tree as predicted, I (4) over bar 3d -> I (4) over bar 2d -> I (4) over bar convincing evidence was obtained for Rb4O6 undergoing charge and orbital ordering, along with respective structural order.