An Electron Diffraction and XRPD Study of Superlattice Ordering in the Elpasolite-Related Oxyfluoride K3MoO3F3 |
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| Authors: | F.J. Brink,R.L. Withers,K. FrieseG. Madariaga,L. Noré n |
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| Affiliation: | a Research School of Chemistry, Australian National University, Canberra, ACT 0200, Australiab Departamento de Fisica de la Materia Condensada, Universidad del Pais Vasco, Bilbao, E-48080, Spain |
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| Abstract: | A detailed electron diffraction and XRPD study has been made of the room-temperature α polymorph of K3MoO3F3. It is shown that the true symmetry of this polymorph is neither tetragonal, trigonal, nor triclinic as previously reported but rather monoclinic I1a1, a=2ap−cp, b=4bp, c=ap+2cp when expressed in terms of the underlying elpasolite (ordered perovskite) parent structure type. A highly structured, three-dimensional, continuous diffuse intensity distribution (presumably arising from local O/F ordering and associated structural relaxation) is shown to coexist with the sharp satellite reflections characteristic of the monoclinic supercell. |
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| Keywords: | luminescence thermochromism phase transitions temperature dependence crystal structure neutron and synchrotron X-ray diffraction. |
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