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@ARTICLE{Hao:840125,
author = {Hao, Yucheng and Murphy, Gabriel L. and Bosbach, Dirk and
Modolo, Giuseppe and Albrecht-Schmitt, Thomas E. and
Alekseev, Evgeny},
title = {{P}orous {U}ranyl {B}orophosphates with {U}nique
{T}hree-{D}imensional {O}pen-{F}ramework {S}tructures},
journal = {Inorganic chemistry},
volume = {56},
number = {15},
issn = {1520-510X},
address = {Washington, DC},
publisher = {American Chemical Society},
reportid = {FZJ-2017-07685},
pages = {9311 - 9320},
year = {2017},
abstract = {Two novel alkali-metal uranyl borophosphates have been
prepared and characterized for the first time, namely,
K5(UO2)2[B2P3O12(OH)]2(OH)(H2O)2 and
K2(UO2)12[B(H2PO4)4](PO4)8(OH)(H2O)6 denoted as KUPB1 and
KUPB2, respectively. KUPB1 was obtained hydrothermally at
220 °C and crystallizes in a monoclinic structure in the
chiral space group P21. The unit cell parameters of KUPB1
are a = 6.7623(2) Å, b = 19.5584(7) Å, c = 11.0110(4) Å,
α = γ = 90°, β = 95.579(3)°, and V = 1449.42(8) Å3. It
features a unique three-dimensional (3D) open-framework
structure, composed of two corner-sharing linked
one-dimensional (1D) anionic borophosphates (BP),
[B2P3O13]5–, along the a axis and uranyl phosphate (UP),
[(UO2)(PO4)3]7–, chains along the c axis, further bridged
by PO4 tetrahedra. Multi-intersectional channels can be
observed within the structure, in which the largest 11-ring
(11-R) tunnel size is ∼7.0 Å × 8.8 Å. Its simplified
framework can be described as a new 4-nodal net topological
type with a point symbol of
{4.84.10}{42.6}2{43.62.83.102}{82.10}. By modification of
the synthetic conditions of KUPB1 through an increase in the
amount of H3BO3 as flux 4-fold and a reduction of water as
the reaction medium, the novel compound KUPB2 is generated.
The unit cell parameters of KUPB2 are a = b = 21.8747(3) Å,
c = 7.0652(2) Å, α = β = γ = 90°, and V = 3380.72(12)
Å3. KUPB2 crystallizes in a tetragonal structure in the
polar space group I4̅2m, and its structure is based on a
highly complex 3D framework, {(UO2)12[B(PO4)4](PO4)8}9–,
in which 1D 8-R UP [(UO2)(PO4)]− tubes can be observed
along the c axis. The [(UO2)(PO4)]− tubes consist of three
uranyl chains along the c axis, which are linked alternately
by [PO4]3– tetrahedra. Those isolated 1D [(UO2)(PO4)]−
tubes are further bridged through [(UO2)4B(PO4)4]−
clusters, forming an exceptional 3D open-framework
structure. Its simplified cation network is a new 5-nodal
net topological type such as
{32.43.5.62.7.8}8{34.45.54.62}8{4.62.83}4{42.6}4{44.62}.
Their facile hydrothermal synthetic routes, porous structure
topology, thermal stability, and Raman spectroscopy
properties are reported and discussed.},
cin = {IEK-6},
ddc = {540},
cid = {I:(DE-Juel1)IEK-6-20101013},
pnm = {161 - Nuclear Waste Management (POF3-161) / HITEC -
Helmholtz Interdisciplinary Doctoral Training in Energy and
Climate Research (HITEC) (HITEC-20170406)},
pid = {G:(DE-HGF)POF3-161 / G:(DE-Juel1)HITEC-20170406},
typ = {PUB:(DE-HGF)16},
pubmed = {pmid:28718634},
UT = {WOS:000407405500079},
doi = {10.1021/acs.inorgchem.7b01443},
url = {https://juser.fz-juelich.de/record/840125},
}