Composite Copper Chalcogenide Halides: Neutron Powder Diffraction of CuClCu2TeS3 and Electrical Properties of CuClCu2TeS3, (CuI)2Cu3SbS3, and (CuI)3Cu2TeS3

✍ Scribed by Arno Pfitzner; Sara Reiser; Tom Nilges; Winfried Kockelmann

• Book ID: 102608993
• Publisher: Elsevier Science
• Year: 1999
• Tongue: English
• Weight: 241 KB
• Volume: 147
• Category: Article
• ISSN: 0022-4596
• DOI: 10.1006/jssc.1999.8208

✦ Synopsis

The crystal structure of CuClCu TeS was re5ned from TOF neutron powder di4raction 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 Te 4؉ and of the anions Cl ؊ and S 2؊ . The compound crystallizes in the rhombohedral system, space group R3m (No. 160) with a ‫؍‬ 7.3502(1) A s , c ‫؍‬ 10.3873(2) A s , V ‫؍‬ 485.99 A s 3 , and Z ‫؍‬ 3. The structure re5nement converged to R wp ‫؍‬ 0.039 and R Bragg ‫؍‬ 0.032. From the neutron data it can be derived that there is no signi5cant disorder of Cl and S atoms. Impedance spectroscopic measurements in the temperature range 140+2803 3C reveal that CuClCu 2 TeS 3 is a semiconductor with an activation energy of 0.75 eV (T < 2003 3C) and 1.25 eV (T > 2003 3C), respectively. On the other hand (CuI) 3 Cu 2 TeS 3 and (CuI) 2 Cu 3 SbS 3 exhibit high copper ion conductivity with activation energies of 0.2 and 0.35 eV, respectively, but a negligible electronic conduction.