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Synthesis and Study of the First Zeolitic Uranium Borate
journal contribution
posted on 2017-11-27, 00:00 authored by Yucheng Hao, Vladislav V. Klepov, Philip Kegler, Giuseppe Modolo, Dirk Bosbach, Thomas E. Albrecht-Schmitt, Shuao Wang, Evgeny V. AlekseevA complex,
three-dimensional, open-framework, lead uranyl borate,
(H2O)Pb3(UO2)3B14O27, denoted as LUBO, was synthesized
via a hydrothermal method. LUBO crystallizes in the hexagonal
space group P63/m and
exhibits a zeolite-like anionic borate framework (B14O27)12‑. The main structural unit of the framework
is a tubule consisting of six-membered B6O18 rings. Each ring is connected to the successive one by three diborate
groups, and these tubules propagate along the c axis.
The tubules possess six-membered ring (MR) windows in the axial direction
and 8-MR windows on its sides. Interconnection of the parallel tubules,
which consist exclusively of BO4 tetrahedra, is provided
by triangular BO3 fragments perpendicular to the axis of
the tubules. The framework has large pores as well as channels with
8-MR windows extending along the [100], [010], and [110] directions
that are consistent with the overall hexagonal symmetry of the structure.
The lead cations occupy 8-MR windows and form [Pb3(H2O)] groups with attached water molecules that are located
at the center of the tubules. The method of Voronoi–Dirichlet
tessellation reveals that the lone pairs of the lead cations are located
outside the tubule. Uranyl cations form UO8 coordination
polyhedra in the shape of a hexagonal bipyramid. The thermal stability
and vibrational spectroscopy of LUBO are also delineated
in this work.
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vibrational spectroscopyLUBO crystallizesuranyl borateUranyl cations form UO 8 coordination polyhedra8- MR windowsborate frameworkBO 3 fragmentswater moleculesUO 2c axissix-membered B 6 O 18 ringshydrothermal methodtubuletubulesFirst Zeolitic Uranium Boratesix-membered ringdiborate groupsB 14 O 27Pb 3BO 4 tetrahedra
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