The Crystal Structure of Ba5Cu2Al3F23: A Complex Barium, Copper, Aluminum Fluoride, with Copper (II) in Trigonal Prismatic Environment

✍ Scribed by Nathalie Dupont; Patrick Gredin; Armen Caramanian; Ariel de Kozak

• Publisher: Elsevier Science
• Year: 1999
• Tongue: English
• Weight: 318 KB
• Volume: 147
• Category: Article
• ISSN: 0022-4596
• DOI: 10.1006/jssc.1999.8439

✦ Synopsis

Ba 5 Cu 2 Al 3 F 23 is monoclinic: a ‫؍‬ 28.44(2) A s , b ‫؍‬ 7.322(4) A s , c ‫؍‬ 27.95(2) A s , ‫؍‬ 108.95(3)3, Z ‫؍‬ 12. The crystal structure was solved in the space group P2 /c (no. 14), from X-ray single crystal data using 14,235 unique re6ections (5307 with F o / (F o ) > 4). It is built up from a complex tridimensional arrangement of [MF 6 ] octahedra (M ‫؍‬ Al 3؉ and/or Cu 2؉ ) and [CuF 6 ] trigonal prisms, which form in5nite tilted cis chains running perpendicular to the bc plane of the cell. Each chain is connected, roughly in the c direction, to four others, two up and two down, by octahedra vertices. The barium ions, 12-and 13-coordinated to 6uorine atoms, ensure the electroneutrality of the structure. They are inserted between the chains.