ISOTHERMAL COMPRESSIBILITY AND PRESSURE-DEPENDENCE OF THE CRYSTAL-STRUCTURES OF THE SUPERCONDUCTING CHARGE-TRANSFER SALT KAPPA-(BEDT-TTF)(2)CU(NCS)(2) [BEDT-TTF=BIS(ETHYLENEDITHIO) TETRATHIAFULVALENE]

Citation
M. Rahal et al., ISOTHERMAL COMPRESSIBILITY AND PRESSURE-DEPENDENCE OF THE CRYSTAL-STRUCTURES OF THE SUPERCONDUCTING CHARGE-TRANSFER SALT KAPPA-(BEDT-TTF)(2)CU(NCS)(2) [BEDT-TTF=BIS(ETHYLENEDITHIO) TETRATHIAFULVALENE], Acta crystallographica. Section B, Structural science, 53, 1997, pp. 159-167
Citations number
29
Categorie Soggetti
Crystallography
ISSN journal
01087681
Volume
53
Year of publication
1997
Part
1
Pages
159 - 167
Database
ISI
SICI code
0108-7681(1997)53:<159:ICAPOT>2.0.ZU;2-I
Abstract
From the pressure dependence of the lattice parameters measured by sin gle-crystal X-ray diffraction at room temperature, the amplitudes and directions of the principal components of the isothermal compressibili ty tensor of kappa-(BEDT-TTF)(2)Cu(NCS)(2), bis(ethylenedithio)tetrath iafulvalene copper dithiocyanate have been determined from 1 x 10(5) P a to 12.9 x 10(5) kPa. The crystal structure has been determined at 1 x 10(5) Pa and 7.5 x 10(5) kPa. From the latter, the pressure dependen ce of the intermolecular electron-transfer integrals and the band stru cture have been calculated and compared with those at 1 x 10(5) Pa and 15 K.