Crystal Structure of Zeolite LTA Containing Extraframework Tungsten(VI) Ions

Abstract

Tungsten(VI) has been introduced into zeolite LTA (A) by the reaction of fully dehydrated Tl-A (|Tl 12 |[Si 12 Al 12 O 48 ]-A) with WCl 6 (g, 7.0 × 10 2 Pa) at 453 K for 48 h under anhydrous c o n d it io n s . T h e c ry st al s tr u ct ur e o f th e p r o d u c t, |(WCl) 0.6 (Tl 7 Cl 6 ) 0.5 Tl 8.5 |[Si 12 Al 12 O 48 ]- A, was determined by singlecrystal crystallography using synchrotron X-radiation. Its composition was confirmed by energy dispersive X-ray analysis. It was refined in the space group Pm3̅ m (a = 12.061(1) Å) using all data to the final error index R 1 = 0.085 for the 628 unique reflections for which F o > 4σ(F o ). WCl 6 reacted with Tl + ions in the zeolite to form WCl 5+ and Tl 7 Cl 6 + . WCl 5+ lies opposite 6-rings in half of the large cavities; its W 6+ ion coordinates tetrahedrally to its Cl − ion and to three 6-ring oxygen atoms. The other half of the large cavities contain Tl 7 Cl 6 + ; one Tl + ion at the very center of a large cavity coordinates octahedrally to six Cl − ions, each of which bonds in turn to a Tl + ion in an 8-ring. The remaining Tl + ions occupy well established cation positions near 6-rings.

Crystal Structure and Luminescence of Sn,I,Cs,Na–Y, a Lead-Free Zeolite Containing Tetrahedrally Distorted Cubes of Sn4I44+

“…Synchrotron X-ray diffraction data for the two single crystals were collected at the Pohang Accelerator Laboratory (PAL), Korea, by the omega scan method using the BL2D-SMDC program. The conditions of data collection were the same as previously described. , The space group Fd m , standard for zeolite Y, was determined by the program XPREP. Additional experimental and crystallographic data are presented in Table .…”

“…The conditions of data collection were the same as previously described. 33,34 The space group Fd3m, standard for zeolite Y, was determined by the program XPREP. Additional experimental and crystallographic data are presented in Table 1.…”