1. Polymorphism and topological features of compounds with the general formula [formula omitted] {[formula omitted] [BP2O8(OH)]} (where x = 0, 1): Synthesis and structure refinement of Rb{V[BP2O8(OH)]}, analysis of the ion-migration paths, and comparative crystal chemistry of vanadium borophosphates
- Author
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Aksenov, Sergey M., Mironova, Julia S., Yamnova, Natalia A., Volkov, Anatoly S., Dimitrova, Olga V., Gurbanova, Olga A., Deyneko, Dina V., Blatov, Vladislav A., and Krivovichev, Sergey V.
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PATH analysis (Statistics) , *RUBIDIUM , *SPACE groups , *CRYSTAL structure , *SINGLE crystals , *TRANSITION metals - Abstract
Borophosphates of transition 3d metals are based on the mixed heteropolyhedral MTT - or MTTTr -type frameworks formed by M Ø 6 octahedra, two types of T Ø tetrahedra (PO 4 and BO 4 tetrahedra), and, more rarely, Tr O 3 triangles (BO 3 triangles). Family of compounds with the general formula A 1 − x + B x 2 + { M x 2 + M 1 − x 3 + [BP 2 O 8 (OH)]} (where A + = K, Rb, Cs, NH 4 , B 2+ = Ba, Pb, M 2+ = Fe, Co, Zn, and M 3+ = Al, Ga, V3+, Fe3+, Sc, In; x = 0, 1) includes monoclinic (space group P 2 1 / c) and triclinic (space group P 1 ¯) borophosphates. Single crystals of Rb{V[BP 2 O 8 (OH)]} were synthesized by a hydrothermal method. The crystal structure was studied by single-crystal X-ray diffraction analysis: space group P 2 1 / c (No. 15), a = 9.3699(8), b = 8.3162(7), c = 9.6707(8) Å, β = 102.073(9); V = 736.89(11) Å3. The crystal structure of Rb{V[BP 2 O 8 (OH)]} was refined to the final R = 4.52%. A topological description of both structure types of the A 1 − x + B x 2 + { M x 2 + M 1 − x 3 + [BP 2 O 8 (OH)]} compounds and related vanadium-containing phases is given. Because these compounds are characterized by the microporous crystal structures, the possible migration paths for different alkaline ions have been calculated. Family of compounds with the general formula A 1 − x + B x 2 + { M x 2 + M 1 − x 3 + [BP 2 O 8 (OH)]} includes monoclinic (space group P 2 1 / c) and triclinic (space group P 1 ¯) borophosphates.A topological description of both structure types and related vanadium-containing phases is given.The possible migration paths for different alkaline ions have been calculated. [Display omitted] • A topological description of both structure types of the A 1 − x + B x 2 + { M x 2 + M 1 − x 3 + [BP 2 O 8 (OH)]} compounds and related vanadium-containing phases is given. • The possible migration paths for different alkaline ions have been calculated. [ABSTRACT FROM AUTHOR]
- Published
- 2022
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