Crystal structure and topological features of manganonaujakasite, a mineral with microporous heteropolyhedral framework related to AlPO-25 (ATV)

Aksenov, Sergey M.; Чуканов, Н. В.; Pekov, Igor V.; Расцветаева, Р. К.; Hixon, Amy E.

doi:10.1016/j.micromeso.2018.12.019

Cited by 11 publications

(5 citation statements)

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“…The present work continues our systematic study of topologic features of compounds with hetero-polyhedral frameworks [36][37][38][39][40] and their comparison with zeolites. Here we report the results of hydrothermal synthesis of novel mixed nickel-manganese phosphate with an alluaudite-type structure and its characterization by the means of single-crystal X-ray diffraction analysis.…”

Section: Introductionmentioning

confidence: 54%

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

et al. 2021

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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.

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Section: Introductionmentioning

confidence: 54%

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

et al. 2021

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“…In this paper, we continue our study (Aksenov et al, 2021(Aksenov et al, , 2020(Aksenov et al, , 2019Kabanova et al, 2020) of the analysis of the role of extra-framework substitutions on the stoichiometry and topological features of heteropolyhedral MT frameworks and provide an analysis of the eudialyte-type framework and its derivatives using the theory of mixed anionic frameworks (Voronkov et al, 1975;Sandomirskiy & Belov, 1984) and possible paths for the ion migrations.…”

Section: Introductionmentioning

confidence: 94%

The role of local heteropolyhedral substitutions in the stoichiometry, topological characteristics and ion-migration paths in the eudialyte-related structures: a quantitative analysis

Aksenov¹,

Kabanova²,

Чуканов³

et al. 2022

Acta Crystallogr Sect B

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Topological analysis of the heteropolyhedral MT framework (where M and T are octahedral and tetrahedral cations, respectively) in the eudialyte-type structure and its derivatives was performed based on a natural tiling analysis of the 3D cation. To analyze the migration paths of sodium cations in these structures, the Voronoi method was used. The parental eudialyte-type MT framework is formed by isolated ZO6 octahedra, six-membered [M(1)6O24] rings of edge-sharing M(1)O6 octahedra, and two kinds of rings of tetrahedra, [Si3O9] and [Si9O27]. Different occupancies of M(2), M(3) and M(4) sites with variable coordination numbers by the additional Q, T* and M* cations, respectively, result in 12 different types of the MT framework. Based on the results of natural tilings calculations as well as theoretical analysis of migration paths, it is found that Na+ ions can migrate through six- and seven-membered rings, while all other rings are too small for the migration. In eight types of MT frameworks, Na+-ion migration and diffusion is possible at ambient temperature and pressure, while in four other types cages are connected by narrow windows and, as a result, the Na+ diffusion in them is complicated at ambient conditions because of the window diameter, but may be possible either at higher temperatures or under mild geological conditions for long periods of time.

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“…Topological analysis based on natural tiling analysis of the 3D cation nets can be useful to characterize heteropolyhedral frameworks and was recently applied for the analysis of uranyl germanates . The ToposPro software was used for the topological calculations.…”

Section: Resultsmentioning

confidence: 99%

Framework Polymorphism and Modular Crystal Structures of Uranyl Vanadates of Divalent Cations: Synthesis and Characterization of M(UO₂)(V₂O₇) (M = Ca, Sr) and Sr₃(UO₂)(V₂O₇)₂

Chong

Aksenov

et al. 2019

Zeitschrift anorg allge chemie

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Uranyl vanadate compounds with divalent cations, M(UO2)(V2O7) (M = Ca, Sr) and Sr3(UO2)(V2O7)2, were synthesized by flux crystal growth, and their crystal structures were solved using single‐crystal X‐ray diffraction data. Ca(UO2)V2O7 and Sr(UO2)V2O7 were synthesized from reactants with molar ratios M:U:V of 1:1:2 and identical heating conditions, and increasing the M:U:V ratio to 3:1:4 resulted in Sr3(UO2)(V2O7)2. Crystallographic data for M(UO2)V2O7 compounds are: a = 7.1774(18) Å, b = 6.7753(17) Å, c = 8.308(2) Å; V = 404.01(18) Å3; space group Pmn21, Z = 2 for Ca; a = 13.4816(11) Å, b = 7.3218(6) Å, c = 8.4886(7) Å; V = 837.91(12) Å3; space group Pnma, Z = 4 for Sr. Compound Sr3(UO2)(V2O7)2 has a = 6.891(3) Å, b = 7.171(3) Å, c = 14.696(6) Å, α = 85.201(4)˚, β = 78.003(4)˚, γ = 89.188(4)˚; V = 707.9(5) Å3; space group P1, Z = 2. The framework structure of Sr(UO2)(V2O7) is related to that of Pb(UO2)(V2O7) reported previously, while that of Ca(UO2)(V2O7) has a different topology. The topological polymorphism of the [(UO2)(V2O7)]‐type framework may be due to the differing ionic radii of the guest M2+ cations. Compound Sr3(UO2)(V2O7)2 has a modular structure based on two different types of electroneutral layers: [Sr(UO2)(V2O7)] and [Sr2(V2O7)]. Structural complexities were calculated, and Raman spectra were collected and their peaks were assigned.

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Crystal structure and topological features of manganonaujakasite, a mineral with microporous heteropolyhedral framework related to AlPO-25 (ATV)

Cited by 11 publications

References 30 publications

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

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

The role of local heteropolyhedral substitutions in the stoichiometry, topological characteristics and ion-migration paths in the eudialyte-related structures: a quantitative analysis

Framework Polymorphism and Modular Crystal Structures of Uranyl Vanadates of Divalent Cations: Synthesis and Characterization of M(UO₂)(V₂O₇) (M = Ca, Sr) and Sr₃(UO₂)(V₂O₇)₂

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Crystal structure and topological features of manganonaujakasite, a mineral with microporous heteropolyhedral framework related to AlPO-25 (ATV)

Cited by 11 publications

References 30 publications

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

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

The role of local heteropolyhedral substitutions in the stoichiometry, topological characteristics and ion-migration paths in the eudialyte-related structures: a quantitative analysis

Framework Polymorphism and Modular Crystal Structures of Uranyl Vanadates of Divalent Cations: Synthesis and Characterization of M(UO2)(V2O7) (M = Ca, Sr) and Sr3(UO2)(V2O7)2

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Framework Polymorphism and Modular Crystal Structures of Uranyl Vanadates of Divalent Cations: Synthesis and Characterization of M(UO₂)(V₂O₇) (M = Ca, Sr) and Sr₃(UO₂)(V₂O₇)₂