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Orientational Disordering in CsCo(ND3)6(ClO4)2Cl2 Crystals Studied by Single Crystal Neutron Diffraction between 20 And 290K

Reynolds, Philip; Henning, Robert; Schultz, Arthur J

Description

A member of the series M(I)M(III)(ND3)6(ClO4)2X2, CsC0(ND3)6(ClO4)2Cl2, has been examined by single crystal time-of-flight neutron diffraction at 20, T(c)-10, T(c)+10, and 290 K, adding to previous X-ray diffraction studies of some compounds in this series. T(c) is the phase transition temperature of 250(1) K observed by DSC between closely related simple trigonal structures - twinned ordered R3 and disordered R3m, both with Z= 3 and the former with a =7.210(2) Å, c = 26.819 Å at 20K. The twin...[Show more]

dc.contributor.authorReynolds, Philip
dc.contributor.authorHenning, Robert
dc.contributor.authorSchultz, Arthur J
dc.date.accessioned2015-12-08T22:27:00Z
dc.identifier.issn0022-4596
dc.identifier.urihttp://hdl.handle.net/1885/33884
dc.description.abstractA member of the series M(I)M(III)(ND3)6(ClO4)2X2, CsC0(ND3)6(ClO4)2Cl2, has been examined by single crystal time-of-flight neutron diffraction at 20, T(c)-10, T(c)+10, and 290 K, adding to previous X-ray diffraction studies of some compounds in this series. T(c) is the phase transition temperature of 250(1) K observed by DSC between closely related simple trigonal structures - twinned ordered R3 and disordered R3m, both with Z= 3 and the former with a =7.210(2) Å, c = 26.819 Å at 20K. The twin populations, orientational order parameter, and deuterium disordering are much more clearly observed by neutron than by X-ray diffraction. A simple model involving both twinning and order-disorder with differing ranges of ionic orientational correlations is appropriate for this crystal at all temperatures. This type of subtle transition, sometimes involving anharmonicity, floppy modes, and substantial disorder below the transition temperature, is easily missed by diffraction studies and yet the thermal and electrical consequences of such disorder may be severe. (C) 2000 Academic Press.
dc.publisherAcademic Press
dc.sourceJournal of Solid State Chemistry
dc.subjectKeywords: cesium; chlorine; cobalt; deuterium; nitrogen; oxygen; anisotropy; article; crystal; crystal structure; differential scanning calorimetry; diffraction; low temperature; materials; model; neutron radiation; phase transition Low-temperature neutron diffraction; Orientational disordering; Phase transition
dc.titleOrientational Disordering in CsCo(ND3)6(ClO4)2Cl2 Crystals Studied by Single Crystal Neutron Diffraction between 20 And 290K
dc.typeJournal article
local.description.notesImported from ARIES
local.description.refereedYes
local.identifier.citationvolume149
dc.date.issued2000
local.identifier.absfor030606 - Structural Chemistry and Spectroscopy
local.identifier.ariespublicationMigratedxPub107
local.type.statusPublished Version
local.contributor.affiliationReynolds, Philip, College of Physical and Mathematical Sciences, ANU
local.contributor.affiliationHenning, Robert, Argonne National Laboratory
local.contributor.affiliationSchultz, Arthur J, Argonne National Laboratory
local.description.embargo2037-12-31
local.bibliographicCitation.startpage60
local.bibliographicCitation.lastpage67
local.identifier.doi10.1006/jssc.1999.8496
dc.date.updated2015-12-08T09:16:27Z
local.identifier.scopusID2-s2.0-0033668023
CollectionsANU Research Publications

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