A fourth polymorph in the family of BEDT-TTF salts with thiocyanatocuprate(I) anions: (BEDT-TTF){<_4}Cu{<_3}(NCS){<_5}

A new crystallographic modification was found in the family of BEDT-TTF salts containing thiocyanatocuprate(I) anions. The cation radical salt crystallizes in the P{sup {bar 1}} space group with a = 8.2720(9) {angstrom}, b = 19.099(2) {angstrom}, c = 43.758(5) {angstrom}, {alpha} = 81.088(4){sup o},...

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Bibliographic Details
Published in:Physica Status Solidi B (Basic Research) 2012-05, Vol.249 (5)
Main Authors: Schlueter, J. A., Geiser, U., Wang, H. H., Manson, J. L.
Format: Article
Language:English
Subjects:
ACTIVATION ENERGY
ANIONS
BEDT-TTF
CATIONS
CRYSTAL STRUCTURE
MATERIALS SCIENCE
MODIFICATIONS
RADICALS
SLIP
SPACE GROUPS
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Summary:A new crystallographic modification was found in the family of BEDT-TTF salts containing thiocyanatocuprate(I) anions. The cation radical salt crystallizes in the P{sup {bar 1}} space group with a = 8.2720(9) {angstrom}, b = 19.099(2) {angstrom}, c = 43.758(5) {angstrom}, {alpha} = 81.088(4){sup o}, {beta} = 87.253(4){sup o}, {gamma} = 83.790(4){sup o}, V = 6786.2(13) {angstrom}{sup 3} at 150 K. The BEDT-TTF radical cations pack in an {alpha}-type motif, but every four columns, there is a slip in the layer. Where this slip occurs, the stacks are coupled in a {beta}'' manner. The material exhibits semiconductive behavior with an activation energy of 0.13 eV above 250 K and 0.22 eV below. Packing motif of the (BEDT-TTF){sub 4}Cu{sub 3}(NCS){sub 5} structure.
ISSN:0370-1972
1521-3951
DOI:10.1002/pssb.201100726