Crystal Structure of a Complex Basic Zirconium Sulfate

Philip J. Squattrito, Philip R. Rudolf, Abraham Clearfield

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A new complex basic zirconium sulfate, Zr1804(0H)38ig(S04)i™*33H20, has been characterized by single-crystal X-ray techniques. The crystals are hexagonal, 4,-P63/m, with a = 33.779 (4) Å, c = 17.522 (3) Å, V ~ 17322 (3) Å3, and R{F) = 0.083 for 7218 observations [1> 2<r(I)] and 775 variables. The unit cell contains six complex molecules each consisting of a folded sheet of 18 zirconium atoms linked via oxygen bridges. Large channels between the complexes contain water molecules involved in linking the complexes via hydrogen bonding. The Zr atoms are found in both 7- and 8-fold coordination. This compound is much more basic than the previously characterized basic sulfates, and the structure is distinguished by the presence of triply bridging hydroxyl groups and quadruply bridging oxide ions and by the diminished importance of the sulfate groups in the Zr framework. Systematic rules for the formation of basic zirconium sulfates are discussed in light of these results.

Original languageEnglish
Pages (from-to)4240-4244
Number of pages5
JournalInorganic Chemistry
Issue number25
StatePublished - Dec 1 1987
Externally publishedYes


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