Yu. A. Vaitieva, N. V. Chukanov, M. F. Vigasina, D. A. Varlamov, S. N. Volkov, R. K. Rastsvetaeva, S. M. Aksenov
{"title":"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","authors":"Yu. A. Vaitieva, N. V. Chukanov, M. F. Vigasina, D. A. Varlamov, S. N. Volkov, R. K. Rastsvetaeva, S. M. Aksenov","doi":"10.1134/s0022476624070072","DOIUrl":null,"url":null,"abstract":"<h3 data-test=\"abstract-sub-heading\">Abstract</h3><p>Two mineral species of the labuntsovite group from Khibiny (sample <b>1</b>) and Lovozero (sample <b>2</b>) 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: <i>a</i> = 14.5086(6) Å, <i>b</i> = 14.2174(6) Å, <i>c</i> = 7.8712(3) Å, β = 117.119(4)°, <i>V</i> = 1444.09(11) Å<sup>3</sup> (sample <b>1</b>) and <i>a</i> = 14.2582(4) Å, <i>b</i> = 13.7541(6) Å, <i>c</i> = 7.7770(2) Å, β = 116.893(4)°, <i>V</i> = 1360.20(9) Å<sup>3</sup> (sample <b>2</b>). Crystal chemical formulas (<i>Z</i> = 2) are: <i>|</i><sup><i>A</i></sup>[Na<sub>0.84</sub>K<sub>0.6</sub>[(H<sub>2</sub>O)<sub>4</sub>]<sub>5.2</sub>]<sup><i>B</i></sup>K<sub>0.2</sub><sup><i>C</i></sup>Ba<sub>0.25</sub><sup><i>D</i></sup>[Ca<sub>0.35</sub>Na<sub>0.15</sub>Fe<sub>0.025</sub>(H<sub>2</sub>O)]| {<i>M</i>1(Ti<sub>1.2</sub>Nb<sub>0.8</sub>)<i>M</i>2(Ti<sub>1.1</sub>Nb<sub>0.9</sub>)(O,OH)<sub>4</sub>(Si<sub>4</sub>O<sub>12</sub>)<sub>2</sub>} for sample <b>1 </b>and <i>|</i><sup><i>A</i></sup>[Na<sub>1.6</sub>(H<sub>2</sub>O,H<sub>3</sub>O)<sub>0.4</sub>]<sup><i>B</i></sup>K<sub>2</sub><sup><i>C</i></sup>(Ba<sub>0.51</sub>Sr<sub>0.21</sub>)<sup><i>D</i> [Mn</sup><sub>0.3</sub>Ca<sub>0.2</sub>(H<sub>2</sub>O)](H<sub>2</sub>O)<sub>4</sub>|{<i>M</i>1(Ti<sub>1.94</sub>Nb<sub>0.06</sub>)<i>M</i>2(Ti<sub>1.88</sub>Nb<sub>0.12</sub>)(O,OH)<sub>4</sub>(Si<sub>4</sub>O<sub>12</sub>)<sub>2</sub>} for sample <b>2</b>. The high degree of hydration of sample <b>1</b> is expressed in the presence of proton hydrate complexes and tetrahedral [H<sub>2</sub>O]<sub>4</sub>-associates. Labuntsovite group minerals (LGMs) are characterized by so-called block isomorphism due to different distributions of <i>D</i> cations. Our analysis of heteropolyhedral <i>MT</i>-frameworks in LGMs allows us to determine the topological features of cation networks.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":null,"pages":null},"PeriodicalIF":1.2000,"publicationDate":"2024-07-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"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\",\"authors\":\"Yu. A. Vaitieva, N. V. Chukanov, M. F. Vigasina, D. A. Varlamov, S. N. Volkov, R. K. Rastsvetaeva, S. M. Aksenov\",\"doi\":\"10.1134/s0022476624070072\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<h3 data-test=\\\"abstract-sub-heading\\\">Abstract</h3><p>Two mineral species of the labuntsovite group from Khibiny (sample <b>1</b>) and Lovozero (sample <b>2</b>) 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: <i>a</i> = 14.5086(6) Å, <i>b</i> = 14.2174(6) Å, <i>c</i> = 7.8712(3) Å, β = 117.119(4)°, <i>V</i> = 1444.09(11) Å<sup>3</sup> (sample <b>1</b>) and <i>a</i> = 14.2582(4) Å, <i>b</i> = 13.7541(6) Å, <i>c</i> = 7.7770(2) Å, β = 116.893(4)°, <i>V</i> = 1360.20(9) Å<sup>3</sup> (sample <b>2</b>). Crystal chemical formulas (<i>Z</i> = 2) are: <i>|</i><sup><i>A</i></sup>[Na<sub>0.84</sub>K<sub>0.6</sub>[(H<sub>2</sub>O)<sub>4</sub>]<sub>5.2</sub>]<sup><i>B</i></sup>K<sub>0.2</sub><sup><i>C</i></sup>Ba<sub>0.25</sub><sup><i>D</i></sup>[Ca<sub>0.35</sub>Na<sub>0.15</sub>Fe<sub>0.025</sub>(H<sub>2</sub>O)]| {<i>M</i>1(Ti<sub>1.2</sub>Nb<sub>0.8</sub>)<i>M</i>2(Ti<sub>1.1</sub>Nb<sub>0.9</sub>)(O,OH)<sub>4</sub>(Si<sub>4</sub>O<sub>12</sub>)<sub>2</sub>} for sample <b>1 </b>and <i>|</i><sup><i>A</i></sup>[Na<sub>1.6</sub>(H<sub>2</sub>O,H<sub>3</sub>O)<sub>0.4</sub>]<sup><i>B</i></sup>K<sub>2</sub><sup><i>C</i></sup>(Ba<sub>0.51</sub>Sr<sub>0.21</sub>)<sup><i>D</i> [Mn</sup><sub>0.3</sub>Ca<sub>0.2</sub>(H<sub>2</sub>O)](H<sub>2</sub>O)<sub>4</sub>|{<i>M</i>1(Ti<sub>1.94</sub>Nb<sub>0.06</sub>)<i>M</i>2(Ti<sub>1.88</sub>Nb<sub>0.12</sub>)(O,OH)<sub>4</sub>(Si<sub>4</sub>O<sub>12</sub>)<sub>2</sub>} for sample <b>2</b>. The high degree of hydration of sample <b>1</b> is expressed in the presence of proton hydrate complexes and tetrahedral [H<sub>2</sub>O]<sub>4</sub>-associates. Labuntsovite group minerals (LGMs) are characterized by so-called block isomorphism due to different distributions of <i>D</i> cations. Our analysis of heteropolyhedral <i>MT</i>-frameworks in LGMs allows us to determine the topological features of cation networks.</p>\",\"PeriodicalId\":668,\"journal\":{\"name\":\"Journal of Structural Chemistry\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":1.2000,\"publicationDate\":\"2024-07-26\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Structural Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1134/s0022476624070072\",\"RegionNum\":4,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, INORGANIC & NUCLEAR\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Structural Chemistry","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1134/s0022476624070072","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
引用次数: 0
摘要
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。
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
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[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} for sample 1 and |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. 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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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.
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