Sodalite networks formed by metal squarates

Neeraj, S. ; Noy, M. L. ; Rao, C. N. R. ; Cheetham, A. K. (2002) Sodalite networks formed by metal squarates Solid State Sciences, 4 (10). pp. 1231-1236. ISSN 1293-2558

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Sodalite structures have not hitherto been obtained by rational design based on linking of square building units. We have, for the first time, succeeded in synthesizing sodalite networks by making use of squaric acid as the 4-membered square unit. Cobalt, manganese and zinc squarates with this architecture have been obtained (Crystal data for 1, Co(H2O)2(C4O4): cubic, space group Pn-3n (No. 222), a=16.280(5) Å, α=β=γ=90°, V=4315(2) Å3, Z=48, ρcalc=1.912 mg m−3, R1=0.041 for Mo Kα, λ=0.71073 Å. Crystal data for 2, Mn(H2O)2(C4O4): trigonal, space group R−3 (No. 148), a=b=11.607(5), c=14.66(3) Å, α=β=90°, γ=120°, V=1711(4) Å3, Z=18, ρcalc=1.773 mg m−3, R1=0.029. Crystal data for 3, Zn(H2O)2(C4O4): cubic, space group Pn-3n (No. 222), a=16.256(3) Å, α=β=γ=90°, V=4295.6(15) Å3, Z=48, ρcalc=1.980 mg m−3, final R1=0.033. In the sodalite structures obtained by us, twelve metal(H2O)2O4 units link the squares, instead of oxygen atoms as in the normal aluminosilicate sodalite.

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