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 1.2 4区化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR

Journal of Structural Chemistry 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

Journal of Structural Chemistry 化学-无机化学与核化学

CiteScore

1.60

自引率

12.50%

发文量

142

审稿时长

8.3 months

期刊介绍： Journal is an interdisciplinary publication covering all aspects of structural chemistry, including the theory of molecular structure and chemical bond; the use of physical methods to study the electronic and spatial structure of chemical species; structural features of liquids, solutions, surfaces, supramolecular systems, nano- and solid materials; and the crystal structure of solids.