ALUMINUM PHOSPHATES WITH NONCENTROSYMMETR IC LAYER-STRUCTURE AND FRAMEWORK-STRUCTURES OF TOPOLOGICALLY RELATED MOTIFS - 2 - KAL2(PO4)(2)(OH)CENTER-DOT-2H(2)O
S. Dick et al., ALUMINUM PHOSPHATES WITH NONCENTROSYMMETR IC LAYER-STRUCTURE AND FRAMEWORK-STRUCTURES OF TOPOLOGICALLY RELATED MOTIFS - 2 - KAL2(PO4)(2)(OH)CENTER-DOT-2H(2)O, Zeitschrift fur Naturforschung. B, A journal of chemical sciences, 52(12), 1997, pp. 1447-1455
KAl2(PO4)(2)(OH). 2H(2)O was obtained by the reaction of gibbsite with
a potassium-phosphate solution of pH = 5.5 at 373 K. A single crystal
X-ray structure analysis showed that it is an ordered, F-free K-analo
g of the microporous compound AlPO4-CI2. Crystal data: orthorhombic sp
ace group P2(1)2(1)2(1), a = 920.5(1), b = 970.7(2), c = 982.8(2) pm,
Z = 4. The structure consists of dimeric units of AlO6 octahedra and A
lO5 trigonal bipyramids, bridged by an OH and two bidentate phosphate
groups. The dimers are linked by phosphate to form corrugated layers w
hich are topologically related to the layers in KAl2(PO4)(2)(OH). 4H(2
)O and minyulite. The layers are connected by Al-O-P and hydrogen bond
s to a three dimensional framework structure with K ions in channel-li
ke cavities. A neutron powder scattering experiment with KAl2(PO4)(2)(
OD). 2D(2)O showed that the bridging OD group and only one D of each w
ater molecule are involved in hydrogen bonding. P-31 MAS NMR spectra s
how two isotropic lines at delta(iso) = -6.9 and -18,7 ppm of the inte
nsity ratio 1:1 and confirm the presence of two crystallographically i
ndependent P atoms in the unit cell. In the H-1 MAS NMR spectra the wa
ter molecules and the bridging OH group show signals at 5.9 and 1.1 pp
m, respectively.