Structural Features of Hydrated Representatives of the Labuntsovite Group: Refinement of Crystal Structures of Intermediate Members of the Tsepinite-Na–“Tsepinite-Ba”–Tsepinite-K Solid Solution

IF 16.4 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2024-07-26 DOI:10.1134/S0022476624070072

Yu. A. Vaitieva, N. V. Chukanov, M. F. Vigasina, D. A. Varlamov, S. N. Volkov, R. K. Rastsvetaeva, S. M. Aksenov

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Abstract

Two mineral species of the labuntsovite group from Khibiny (sample 1) and Lovozero (sample 2) alkaline massifs are analyzed by single crystal X-ray diffraction and Raman spectroscopy. They are intermediate members of the tsepinite-Na–“tsepinite-Ba”–tsepinite-K solid solution, which are characterized by a high degree of hydration and a low concentration of extra-frame cations. Parameters of monoclinic cells are: a = 14.5086(6) Å, b = 14.2174(6) Å, c = 7.8712(3) Å, β = 117.119(4)°, V = 1444.09(11) Å³ (sample 1) and a = 14.2582(4) Å, b = 13.7541(6) Å, c = 7.7770(2) Å, β = 116.893(4)°, V = 1360.20(9) Å³ (sample 2). Crystal chemical formulas (Z = 2) are: |^A[Na_0.84K_0.6[(H₂O)₄]_5.2]^BK_0.2^CBa_0.25^D[Ca_0.35Na_0.15Fe_0.025(H₂O)]| {M1(Ti_1.2Nb_0.8)M2(Ti_1.1Nb_0.9)(O,OH)₄(Si₄O₁₂)₂} for sample 1 and |^A[Na_1.6(H₂O,H₃O)_0.4]^BK₂^C(Ba_0.51Sr_0.21)^{D [Mn}_0.3Ca_0.2(H₂O)](H₂O)₄|{M1(Ti_1.94Nb_0.06)M2(Ti_1.88Nb_0.12)(O,OH)₄(Si₄O₁₂)₂} for sample 2. The high degree of hydration of sample 1 is expressed in the presence of proton hydrate complexes and tetrahedral [H₂O]₄-associates. Labuntsovite group minerals (LGMs) are characterized by so-called block isomorphism due to different distributions of D cations. Our analysis of heteropolyhedral MT-frameworks in LGMs allows us to determine the topological features of cation networks.

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拉邦索维特族水合代表的结构特征：Tsepinite-Na-"Tsepinite-Ba"-Tsepinite-K固溶体中间成员晶体结构的完善

摘要通过单晶 X 射线衍射和拉曼光谱分析了来自 Khibiny（样品 1）和 Lovozero（样品 2）碱性丘陵的两种 Labuntsovite 类矿物。它们是钙钛矿-Na-"钙钛矿-Ba"-钙钛矿-K 固溶体的中间成员，具有高水合度和低框架外阳离子浓度的特征。单斜晶胞参数为：a = 14.5086(6) Å, b = 14.2174(6) Å, c = 7.8712(3) Å, β = 117.119(4)°, V = 1444.09(11) Å3 (样品 1) 和 a = 14.2582(4) Å, b = 13.7541(6) Å, c = 7.7770(2) Å, β = 116.893(4)°, V = 1360.20(9) Å3 (样品 2)。晶体化学式（Z = 2）为样品 1 的化学式为：|A[Na0.84K0.6[(H2O)4]5.2]BK0.2CBa0.25D[Ca0.35Na0.15Fe0.025(H2O)]| {M1(Ti1.2Nb0.8)M2(Ti1.1Nb0.9)(O,OH)4(Si4O12)2} ，样品 2 的化学式为：|A[Na1.6(H2O,H3O)0.4]BK2C(Ba0.51Sr0.21)D [Mn0.3Ca0.2(H2O)](H2O)4|{M1(Ti1.94Nb0.06)M2(Ti1.88Nb0.12)(O,OH)4(Si4O12)2} for sample 2.样品 1 的高水合度表现为质子水合物和四面体 [H2O]4- 连生体的存在。由于 D 阳离子的分布不同，拉邦索维特族矿物（LGMs）具有所谓的块体同构的特征。通过分析拉邦索维特族矿物中的异多面体 MT-框架，我们可以确定阳离子网络的拓扑特征。

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来源期刊

Accounts of Chemical Research 化学-化学综合

CiteScore

31.40

自引率

1.10%

发文量

312

审稿时长

2 months

期刊介绍： Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.