TY - JOUR
T1 - Composite Copper Chalcogenide Halides
T2 - Neutron Powder Diffraction of CuClCu2TeS3 and Electrical Properties of CuClCu2TeS3, (CuI)2Cu3SbS3, and (CuI)3Cu2TeS3
AU - Pfitzner, Arno
AU - Reiser, Sara
AU - Nilges, Tom
AU - Kockelmann, Winfried
PY - 1999/10
Y1 - 1999/10
N2 - The crystal structure of CuClCu2TeS3 was refined from TOF neutron powder diffraction data in order to verify the distribution of chlorine and sulfur. It is a novel derivative of the zincblende type with an ordered distribution both of the cations Cu+ and Te4+ and of the anions Cl- and S2-. The compound crystallizes in the rhombohedral system, space group R3m (No. 160) with a=7.3502(1) Å, c=10.3873(2) Å, V=485.99 Å3, and Z=3. The structure refinement converged to Rwp=0.039 and RBragg=0.032. From the neutron data it can be derived that there is no significant disorder of Cl and S atoms. Impedance spectroscopic measurements in the temperature range 140-280°C reveal that CuClCu2TeS3 is a semiconductor with an activation energy of 0.75 eV (T<200°C) and 1.25 eV (T>200°C), respectively. On the other hand (CuI)3Cu2TeS3 and (CuI)2Cu3SbS3 exhibit high copper ion conductivity with activation energies of 0.2 and 0.35 eV, respectively, but a negligible electronic conduction.
AB - The crystal structure of CuClCu2TeS3 was refined from TOF neutron powder diffraction data in order to verify the distribution of chlorine and sulfur. It is a novel derivative of the zincblende type with an ordered distribution both of the cations Cu+ and Te4+ and of the anions Cl- and S2-. The compound crystallizes in the rhombohedral system, space group R3m (No. 160) with a=7.3502(1) Å, c=10.3873(2) Å, V=485.99 Å3, and Z=3. The structure refinement converged to Rwp=0.039 and RBragg=0.032. From the neutron data it can be derived that there is no significant disorder of Cl and S atoms. Impedance spectroscopic measurements in the temperature range 140-280°C reveal that CuClCu2TeS3 is a semiconductor with an activation energy of 0.75 eV (T<200°C) and 1.25 eV (T>200°C), respectively. On the other hand (CuI)3Cu2TeS3 and (CuI)2Cu3SbS3 exhibit high copper ion conductivity with activation energies of 0.2 and 0.35 eV, respectively, but a negligible electronic conduction.
UR - http://www.scopus.com/inward/record.url?scp=0000968910&partnerID=8YFLogxK
U2 - 10.1006/jssc.1999.8208
DO - 10.1006/jssc.1999.8208
M3 - Article
AN - SCOPUS:0000968910
SN - 0022-4596
VL - 147
SP - 170
EP - 176
JO - Journal of Solid State Chemistry
JF - Journal of Solid State Chemistry
IS - 1
ER -