cm020791z_si_001.pdf (135.35 kB)
Structural Characterization and Chemistry of the Industrially Important Zinc Borate, Zn[B3O4(OH)3]
journal contribution
posted on 2003-01-25, 00:00 authored by David M. Schubert, Fazlul Alam, Mandana Z. Visi, Carolyn B. KnoblerSeveral unique crystalline zinc borates are known, a few of which find industrial use in
significant tonnages. Although the most important of these has been a commercial product
for more than 3 decades, it was never before structurally characterized. The structure of
Zn[B3O4(OH)3] (1) was determined for the first time by single-crystal X-ray diffraction,
revealing it to be a complex network consisting of infinite polytriborate chains cross-linked
by coordination with zinc and further integrated by hydrogen bonding. The structure of 1
bears similarities to certain borate minerals, most notably, studenitsite (Ca[B3O4(OH)3]) and
colemanite (Ca[B3O4(OH)3]·H2O); however, significant differences are described. Hydrolytic
and thermochemical properties of 1 are discussed. This compound illustrates the important
role played by metal cations in directing the spatial arrangement of anionic polyborate
structural units in metal borates. This new structural information leads to a revision in the
chemical formula, 2ZnO·3B2O3·3.5H2O, typically used to describe this material as an article
of commerce, to 2ZnO·3B2O3·3H2O. Compound 1 crystallizes in the monoclinic space group
P21/n with a = 6.845(2) Å, b = 9.798(2) Å, c = 7.697(2) Å, β = 106.966(4)°, V = 493.8 (2) Å3,
and Z = 4.