R. K. Rastsvetaeva, S. M. Aksenov, V. M. Gridchina, N. V. Chukanov
{"title":"闪锌矿族矿物中的不对称现象: 1. 利用 P3 对称性建立闪锌矿(Ce)晶体结构中阳离子有序排列的模型","authors":"R. K. Rastsvetaeva, S. M. Aksenov, V. M. Gridchina, N. V. Chukanov","doi":"10.1134/S1063774524601436","DOIUrl":null,"url":null,"abstract":"<p>The crystal structure of a new mineral from the eudialyte group, amableite-(Ce) Na<sub>15</sub>[(Ce<sub>1.5</sub>Na<sub>1.5</sub>)Mn<sub>3</sub>]Mn<sub>2</sub>Zr<sub>3</sub><span>\\(\\square \\)</span>Si[Si<sub>24</sub>O<sub>69</sub>(OH)<sub>3</sub>](OH)<sub>2</sub> ⋅ H<sub>2</sub>O, was refined using X-ray diffraction analysis in the <i>R</i>3 space group. This mineral was discovered in a hyperagpaitic pegmatite in the Saint-Amable massif, Canada. Amableite-(Ce) is a representative of the eudialyte group with the lowest calcium content; it differs from other representatives of this group by the dominance of lanthanides in a part of edge-sharing octahedra of the six-membered ring. The structure of amableite-(Ce) has a unit cell with the following parameters: <i>a</i> = 14.1340(2) Å, <i>c</i> = 30.378(1) Å, and <i>V</i> = 5255.6(3) Å<sup>3</sup>. In this paper, we propose a model for the distribution of cations within the amableite-(Ce) crystal structure based on a low-symmetry <i>P</i>3 space group. We refined 162 independent atomic positions in the isotropic–anisotropic approximation using 3968 reflections with <i>F</i> > 3σ(<i>F</i>) and obtained <i>R</i> = 4.6% as the final result. Despite the close agreement between the two space groups, the transition from <i>R</i>3 to <i>P</i>3 allows us to obtain a more detailed information about the local distribution of a number of elements over different framework sites. The models of the crystal structure of amableite-(Ce) in the framework of <i>R</i>3 and <i>P</i>3 symmetries, as well as other low-calcium minerals from the eudialyte group that have been studied previously within several space groups, have been compared.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"69 5","pages":"660 - 667"},"PeriodicalIF":0.6000,"publicationDate":"2024-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Dissymmetrization in Eudialyte-Group Minerals: 1. A Model of Ordered Cation Arrangement in the Crystal Structure of Amableite-(Ce) Using the P3 Symmetry\",\"authors\":\"R. K. Rastsvetaeva, S. M. Aksenov, V. M. Gridchina, N. V. Chukanov\",\"doi\":\"10.1134/S1063774524601436\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>The crystal structure of a new mineral from the eudialyte group, amableite-(Ce) Na<sub>15</sub>[(Ce<sub>1.5</sub>Na<sub>1.5</sub>)Mn<sub>3</sub>]Mn<sub>2</sub>Zr<sub>3</sub><span>\\\\(\\\\square \\\\)</span>Si[Si<sub>24</sub>O<sub>69</sub>(OH)<sub>3</sub>](OH)<sub>2</sub> ⋅ H<sub>2</sub>O, was refined using X-ray diffraction analysis in the <i>R</i>3 space group. This mineral was discovered in a hyperagpaitic pegmatite in the Saint-Amable massif, Canada. Amableite-(Ce) is a representative of the eudialyte group with the lowest calcium content; it differs from other representatives of this group by the dominance of lanthanides in a part of edge-sharing octahedra of the six-membered ring. The structure of amableite-(Ce) has a unit cell with the following parameters: <i>a</i> = 14.1340(2) Å, <i>c</i> = 30.378(1) Å, and <i>V</i> = 5255.6(3) Å<sup>3</sup>. In this paper, we propose a model for the distribution of cations within the amableite-(Ce) crystal structure based on a low-symmetry <i>P</i>3 space group. We refined 162 independent atomic positions in the isotropic–anisotropic approximation using 3968 reflections with <i>F</i> > 3σ(<i>F</i>) and obtained <i>R</i> = 4.6% as the final result. Despite the close agreement between the two space groups, the transition from <i>R</i>3 to <i>P</i>3 allows us to obtain a more detailed information about the local distribution of a number of elements over different framework sites. The models of the crystal structure of amableite-(Ce) in the framework of <i>R</i>3 and <i>P</i>3 symmetries, as well as other low-calcium minerals from the eudialyte group that have been studied previously within several space groups, have been compared.</p>\",\"PeriodicalId\":527,\"journal\":{\"name\":\"Crystallography Reports\",\"volume\":\"69 5\",\"pages\":\"660 - 667\"},\"PeriodicalIF\":0.6000,\"publicationDate\":\"2024-11-14\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Crystallography Reports\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://link.springer.com/article/10.1134/S1063774524601436\",\"RegionNum\":4,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Crystallography Reports","FirstCategoryId":"88","ListUrlMain":"https://link.springer.com/article/10.1134/S1063774524601436","RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Dissymmetrization in Eudialyte-Group Minerals: 1. A Model of Ordered Cation Arrangement in the Crystal Structure of Amableite-(Ce) Using the P3 Symmetry
The crystal structure of a new mineral from the eudialyte group, amableite-(Ce) Na15[(Ce1.5Na1.5)Mn3]Mn2Zr3\(\square \)Si[Si24O69(OH)3](OH)2 ⋅ H2O, was refined using X-ray diffraction analysis in the R3 space group. This mineral was discovered in a hyperagpaitic pegmatite in the Saint-Amable massif, Canada. Amableite-(Ce) is a representative of the eudialyte group with the lowest calcium content; it differs from other representatives of this group by the dominance of lanthanides in a part of edge-sharing octahedra of the six-membered ring. The structure of amableite-(Ce) has a unit cell with the following parameters: a = 14.1340(2) Å, c = 30.378(1) Å, and V = 5255.6(3) Å3. In this paper, we propose a model for the distribution of cations within the amableite-(Ce) crystal structure based on a low-symmetry P3 space group. We refined 162 independent atomic positions in the isotropic–anisotropic approximation using 3968 reflections with F > 3σ(F) and obtained R = 4.6% as the final result. Despite the close agreement between the two space groups, the transition from R3 to P3 allows us to obtain a more detailed information about the local distribution of a number of elements over different framework sites. The models of the crystal structure of amableite-(Ce) in the framework of R3 and P3 symmetries, as well as other low-calcium minerals from the eudialyte group that have been studied previously within several space groups, have been compared.
期刊介绍:
Crystallography Reports is a journal that publishes original articles short communications, and reviews on various aspects of crystallography: diffraction and scattering of X-rays, electrons, and neutrons, determination of crystal structure of inorganic and organic substances, including proteins and other biological substances; UV-VIS and IR spectroscopy; growth, imperfect structure and physical properties of crystals; thin films, liquid crystals, nanomaterials, partially disordered systems, and the methods of studies.