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A fourth polymorph in the family of BEDT‐TTF salts with thiocyanatocuprate(I) anions: (BEDT‐TTF) 4 Cu 3 (NCS) 5
Author(s) -
Schlueter John A.,
Geiser Urs,
Wang Hau H.,
Manson Jamie L.
Publication year - 2012
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201100726
Subject(s) - crystallography , lattice energy , chemistry , crystal structure , octahedron , stereochemistry
Abstract 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 ${\bar {1}}$ space group with a = 8.2720(9) Å, b = 19.099(2) Å, c = 43.758(5) Å, α = 81.088(4)°, β = 87.253(4)°, γ = 83.790(4)°, V = 6786.2(13) Å 3 at 150 K. The BEDT‐TTF radical cations pack in an α‐type motif, but every four columns, there is a slip in the layer. Where this slip occurs, the stacks are coupled in a β″ 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) 4 Cu 3 (NCS) 5 structure.