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Open AccessArticle

Topological Features of the Alluaudite-Type Framework and Its Derivatives: Synthesis and Crystal Structure of NaMnNi2(H2/3PO4)3

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Laboratory of Nature-Inspired Technologies and Environmental Safety of the Arctic, Kola Science Centre, Russian Academy of Sciences, 14 Fersman Str., 184209 Apatity, Russia
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Department of Geology, Moscow State University, Vorobievy Gory, 119991 Moscow, Russia
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Samara Center for Theoretical Materials Science, Samara State Technical University, Molodogvardeyskaya Str. 244, 443100 Samara, Russia
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Institute of Experimental Mineralogy, Russian Academy of Sciences, 4 Akademika Osip’yana Str., 142432 Chernogolovka, Russia
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Department of Chemistry, Moscow State University, Vorobievy Gory, 119991 Moscow, Russia
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Nanomaterials Research Centre, Kola Science Center, Russian Academy of Sciences, Fersmana Str. 14, 184209 Apatity, Russia
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Department of Crystallography, Institute of Earth Sciences, St Petersburg State University, University Embankment 7/9, 199034 St Petersburg, Russia
*
Author to whom correspondence should be addressed.
Crystals 2021, 11(3), 237; https://doi.org/10.3390/cryst11030237
Received: 8 November 2020 / Revised: 23 February 2021 / Accepted: 24 February 2021 / Published: 26 February 2021
(This article belongs to the Special Issue Crystal Chemistry and Properties of Minerals)
A new sodium manganese-nickel phosphate of alluaudite supergroup with the general formula NaMnNi2(H2/3PO4)3 was synthesized by a hydrothermal method. The synthesis was carried out in the temperature range from 540 to 660 K and at the general pressure of 80 atm from the oxides mixture in the molar ratio MnCl2: 2NiCl2: 2Na3PO4: H3BO3: 10H2O. The crystal structure was studied by a single-crystal X-ray diffraction analysis: space group C2/c (No. 15), a = 16.8913(4), b = 5.6406(1), c = 8.3591(3) Å, β = 93.919(3), V = 794.57(4) Å3. The compound belongs to the alluaudite structure type based upon a mixed hetero-polyhedral framework formed by MX6-octahedra and TX4-tetrahedra. The characteristic feature of the title compound is the absence of cations or H2O molecules in channel II, while the negative charge of the framework is balanced by the partial protonation of PO4 tetrahedra. The presence of the transition metals at the A-type sites results in the changes of stoichiometry and the local topological features. Topological analysis of the hetero-polyhedral alluaudite-type frameworks and its derivatives (johillerite-, KCd4(VO4)3-, and keyite-type) and quantitative characterization of their differences was performed by means of natural tilings. View Full-Text
Keywords: alluaudite supergroup; phosphates; topology; crystal structure; stoichiometry; transition metals; crystal chemistry; hetero-polyhedral frameworks alluaudite supergroup; phosphates; topology; crystal structure; stoichiometry; transition metals; crystal chemistry; hetero-polyhedral frameworks
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MDPI and ACS Style

Aksenov, S.M.; Yamnova, N.A.; Kabanova, N.A.; Volkov, A.S.; Gurbanova, O.A.; Deyneko, D.V.; Dimitrova, O.V.; Krivovichev, S.V. Topological Features of the Alluaudite-Type Framework and Its Derivatives: Synthesis and Crystal Structure of NaMnNi2(H2/3PO4)3. Crystals 2021, 11, 237. https://doi.org/10.3390/cryst11030237

AMA Style

Aksenov SM, Yamnova NA, Kabanova NA, Volkov AS, Gurbanova OA, Deyneko DV, Dimitrova OV, Krivovichev SV. Topological Features of the Alluaudite-Type Framework and Its Derivatives: Synthesis and Crystal Structure of NaMnNi2(H2/3PO4)3. Crystals. 2021; 11(3):237. https://doi.org/10.3390/cryst11030237

Chicago/Turabian Style

Aksenov, Sergey M.; Yamnova, Natalia A.; Kabanova, Natalia A.; Volkov, Anatoly S.; Gurbanova, Olga A.; Deyneko, Dina V.; Dimitrova, Olga V.; Krivovichev, Sergey V. 2021. "Topological Features of the Alluaudite-Type Framework and Its Derivatives: Synthesis and Crystal Structure of NaMnNi2(H2/3PO4)3" Crystals 11, no. 3: 237. https://doi.org/10.3390/cryst11030237

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