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• W1993463525 abstract "Two new, noncentrosymmetric, rubidium titanium phosphate phases have been synthesized by hydrothermal and flux methods and structurally characterized by single crystal X-ray diffraction methods. Rb2Ti3O2(PO4)2(HPO4)2 (Rb2Ti3P4) consists of a three-dimensional framework of vertex-sharing TiO6, PO4, and HPO4 polyhedra interconnected via Ti-O-Ti and Ti-O-P bonds, surrounding large, one-dimensional channels occupied by eight-coordinate guest Rb+ cations: these channels propagate along the a-crystallographic direction. The framework includes [Ti3O16] units built up from three adjacent TiO6 octahedra sharing trans-O-Ti-O links, crosslinked by the (hydrogen)phosphate groups. Rb3Ti3O (P2O7)(PO4)3 (Rb3Ti3P5) is built up from a network of TiO6 and PO4 groups, linked via Ti-O-Ti, Ti-O-P, and P-O-P bonds, enclosing channels occupied by the guest rubidium cations. The structural motif of the framework includes isolated TiO6 and [Ti2O11] groups, interconnected by (pyro)phosphate groups. The Rb+ cations occupying the one-dimensional channels are eighffold coordinate by oxygen atoms. Rb3Ti3O(P2O7)(PO4)3 (2 linked octahedra) and RbaTi3O2(PO4)2(HPO4)2(3 linked octahedra) are considered in relation to the nonlinear optical materials KTiOPO4 (KTP) and RbTiOPO4 (RbTP) which contain infinite -O-Ti-O-Ti-O-chains. The typical short, titanyl Ti[]O bond found in KTP and RbTP is barely apparent in Rb2Ti3O2(PO4)2(HPO4)2 and Rb3 Ti3O(P2O7)(PO4)3, and the poor nonlinear response of the title compounds is discussed in relation to the extended Ti/O chain structure in RbTP. Crystal data: Rb2Ti3P4O18H2, Mr = 728.5, monoclinic, P21, a = 5.1851(4) Å, b = 16.770(2) Å, c = 8.4939(6) Å β = 90.940(3) °, V = 738.48 Å3, Z = 2. Final residuals of R = 4,24% and Rw = 4.40% were obtained for 2331 unique reflections with I > 3σ(I). Rb3Ti3P5O20, Mr = 874.96, orthorhombic, Pca21, a = 18.280(1) Å, b = 6.295(1) Å, c = 14.773(1) Å, V = 1700.0 Å3, Z = 4, R = 4.00%, and Rw = 3.70% for 1498 unique reflections with I > 3σ(I)." @default.
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• W1993463525 date "1994-08-01" @default.
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• W1993463525 title "Two New Noncentrosymmetric Rubidium Titanium Phosphate Phases: Rb2Ti3O2(PO4)2(HPO4)2 and Rb3Ti3O(P2O7)(PO4)3" @default.
• W1993463525 doi "https://doi.org/10.1006/jssc.1994.1226" @default.
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