ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 38, Number 5
JKCSEZ 38(5)
October 20, 1994 

The crystal structure of a methanol sorption complex of dehydrated partially Co(Ⅱ)-exchanged zeolite A, Co4Na4-A·6.5CH3OH (a = 12.169(1) Å), has been determined by single-crystal X-ray diffraction techniques in the cubic space group Pm3m at 21(1)℃. Co4Na4-A was dehydrated at 360℃ and 2 × 10-6 torr for 2 days, followed by exposure to about 104 torr of methanol vapor at 22(1)℃ for 1 hr. The structure was refined to final error indices, R1 = 0.061 and R2 = 0.060 with 147 reflections, for which I > 3σ(I). In this structure, four Co2+ ions and 1.5 Na+ ions per unit cell lie at 6-ring positions: the Na+ ions are recessed 0.44 Å into the sodalite unit and the Co(Ⅱ) ions extend ca. 0.55 Å into the large cavity. 2.5 Na+ ions lie in an 8-oxygen ring plane. The 6.5 methanol molecules are sorbed per unit cell. The 6.5 methanol oxygens, all in the large cavity, associate with the 4 Co2+ ions and 2.5 Na+ ions.