Li6P6O18: X-ray powder structure determination of lithium cyclohexaphosphate

✍ Scribed by T. Ben-Chaabane; L. Smiri-Dogguy; Y. Laligant; A. Le Bail

• Publisher: Elsevier Science
• Year: 1998
• Tongue: English
• Weight: 400 KB
• Volume: 35
• Category: Article
• ISSN: 0992-4361
• DOI: 10.1016/s0992-4361(98)80006-4

✦ Synopsis

Preparation, characterization by X-ray diffraction, IR absorption, DTA-TG analysis, and ab-initio crystal structure determination are reported for anhydrous lithium cyciohexaphosphate Li6P6OI8. It crystallizes in a monoclinic cell (space group P21/n N°14, Z=2) with a = 7.9911(3)A, b = 17.0319(6)A, c = 5.3208(2)A and fl = 99.433(1) °. X-ray powder diffraction data were fitted by Rietveld method leading to RBra~_~ = 0.034. The crystal structure of Li6P6OI8 is built up from P6OI8 ring anions, with-1-internal symmetry. Six lithium coordination polyhedra (two pseudo square p~Tamids and four tetrahedra) share common edges and corners as to form Li6016 groups. These cationic groups build up a layer in the (1 0 1) plane showing large distorted hexagonal tunnels and interconnect the P6018 rings in a three dimensional way.