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TOPOLOGICAL FEATURES OF BOROPHOSPHATES WITH MIXED FRAMEWORKS: SYNTHESIS, CRYSTAL STRUCTURE OF FIRST ALUMINUM AND LITHIUM BOROPHOSPHATE Li{Al[BPO]}·2HO AND COMPARATIVE CRYSTAL CHEMISTRY

Journal of Structural Chemistry, ISSN: 1573-8779, Vol: 61, Issue: 11, Page: 1760-1785
2020
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Abstract: New hydrogen-containing aluminum and lithium borophosphate obtained by the hydrothermal synthesis in a borophosphate system is analyzed by single crystal X-ray diffraction. Tetragonal cell parameters are: a = 8.7549(4) Å, c = 16.256(2) Å, V = 1951.2(4) Å, space group P422. Borophosphate studied is characterized by the crystal chemical formula (Z = 4) Li{Al[BPO]}·2HO, where the composition of the borophosphate anion is given in brackets, and the composition of the heteropolyhedral framework is given in braces. The framework formation involves AlO octahedra and PO and BO tetrahedra, Li cations, and HO molecules are located in framework channels. The occurrence of channels creates prerequisites for a high mobility of lithium ions, which can be used in the development of novel Li-conducting materials. From the topological analysis of mixed tetrahedral (TTT) and heteropolyhedral (MTT and TrTTT) frameworks in the structures of borophosphates, a number of their structural features is found, which enables a fresh look at the crystal chemistry of borophosphates.

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