Crystal structures inherited from parent high-temperature disordered microblocks: Ca2SiO4, Na2SO4–K2SO4 sulfates, and related minerals (bubnovaite and dobrovolskyite)

IF 1.2 4区地球科学 Q4 MATERIALS SCIENCE, MULTIDISCIPLINARY

Physics and Chemistry of Minerals Pub Date : 2023-10-06 DOI:10.1007/s00269-023-01253-6

Andrey P. Shablinskii, Stanislav K. Filatov, Yaroslav P. Biryukov

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Abstract

Crystal structures of Ca₂SiO₄, Na₂SO₄–K₂SO₄ sulfates, and related minerals bubnovaite K₂Na₈Ca(SO₄)₆ and dobrovolskyite Na₄Ca(SO₄)₃ were described as consisting of microblocks for the first time. A microblock [M(TO₄)₆] that consisted of an octahedron interlinked by six vertices with six adjacent tetrahedra was considered a structural unit inherited upon cooling from a high-temperature disordered parent unit. The relationship between the parent and inherited microblocks was established. Based on this relationship, 15 possible types of microblocks maintaining a trigonal symmetry were derived. The minerals and compounds structurally related to α-Na₂SO₄-derived superstructures were formed as a result of the cooling of the high-temperature phases containing the disordered parent microblock. Here, the inheritance driving force was the tendency of the structure to become ordered upon cooling. The reasons for the formation of a microblock from the parent microblock were mainly determined by the ionic radius and type of cation occupying the octahedral site. The identification of minerals with the described structural features could be a promising tool for the synthesis of novel compounds with useful properties.

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继承自母体高温无序微块的晶体结构:Ca2SiO4、Na2SO4-K2SO4硫酸盐及其相关矿物(布氏云母和多布氏云母)

本文首次描述了Ca2SiO4、Na2SO4-K2SO4硫酸盐及其伴生矿物蓝辉石K2Na8Ca(SO4)6和dobrovolsky石Na4Ca(SO4)3由微块组成的晶体结构。微块[M(TO4)6]由一个八面体和六个相邻的四面体组成，由六个顶点相互连接，被认为是一个由高温无序母单元冷却后继承的结构单元。建立了亲本微块与遗传微块之间的关系。基于这一关系，推导出了15种可能的保持三角对称的微块类型。在结构上与α- na2so4衍生的上层结构相关的矿物和化合物是由于含有无序母块的高温相冷却而形成的。在这里，遗传驱动力是结构在冷却后变得有序的趋势。由母体微块形成微块的原因主要取决于占据八面体位置的离子半径和阳离子类型。鉴定具有上述结构特征的矿物可能是合成具有有用性质的新化合物的有前途的工具。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Physics and Chemistry of Minerals 地学-材料科学：综合

CiteScore

2.90

自引率

14.30%

发文量

审稿时长

3 months

期刊介绍： Physics and Chemistry of Minerals is an international journal devoted to publishing articles and short communications of physical or chemical studies on minerals or solids related to minerals. The aim of the journal is to support competent interdisciplinary work in mineralogy and physics or chemistry. Particular emphasis is placed on applications of modern techniques or new theories and models to interpret atomic structures and physical or chemical properties of minerals. Some subjects of interest are: -Relationships between atomic structure and crystalline state (structures of various states, crystal energies, crystal growth, thermodynamic studies, phase transformations, solid solution, exsolution phenomena, etc.) -General solid state spectroscopy (ultraviolet, visible, infrared, Raman, ESCA, luminescence, X-ray, electron paramagnetic resonance, nuclear magnetic resonance, gamma ray resonance, etc.) -Experimental and theoretical analysis of chemical bonding in minerals (application of crystal field, molecular orbital, band theories, etc.) -Physical properties (magnetic, mechanical, electric, optical, thermodynamic, etc.) -Relations between thermal expansion, compressibility, elastic constants, and fundamental properties of atomic structure, particularly as applied to geophysical problems -Electron microscopy in support of physical and chemical studies -Computational methods in the study of the structure and properties of minerals -Mineral surfaces (experimental methods, structure and properties)