二价铅矿物中氧化中心四面体规格的晶体化学指标

IF 0.3 Q4 GEOLOGY

Moscow University Geology Bulletin Pub Date : 2024-07-17 DOI:10.3103/s0145875224700194

A. D. Podobrazhnykh, T. A. Eremina, E. I. Marchenko, N. N. Eremin

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引用次数: 0

摘要

摘要对硅酸盐类、磷酸盐类、氧化物类、氧化卤化物类和其他一些类别的含铅矿物的 216 个晶体结构中的 1567 个氧位置进行了复杂的晶体化学分析。结果表明，结合应用键价方法和分析 Voronoi-Dirichlet 多面体的几何特征，可以可靠地区分与阳离子结构块有关的氧位置和以阴离子为中心的描述更为合理的氧位置。这种氧气位置分离的数字指标已得到证实，可用于使用机器学习方法分析大量结构数据。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Crystal-Chemical Indicators of Specification of Oxocentered Tetrahedra in Divalent Lead Minerals

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Crystal-Chemical Indicators of Specification of Oxocentered Tetrahedra in Divalent Lead Minerals

Abstract

A complex crystal-chemical analysis of 1567 oxygen positions in 216 crystal structures of lead-containing minerals assigned to the classes silicates, phosphates, oxides, oxohalides, and a number of others has been performed. It is shown that the combined application of the bond valence method and analysis of geometric characteristics of Voronoi–Dirichlet polyhedra makes it possible to reliably distinguish between oxygen positions related to cation structure blocks and oxygen positions, for which a description based on an anion-centered approach is more reasonable. Numerical indicators for such separation of oxygen positions are substantiated, which can be used to analyze large arrays of structural data, using the machine learning approaches.

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来源期刊

Moscow University Geology Bulletin GEOLOGY-

CiteScore

0.60

自引率

25.00%

发文量

期刊介绍： Moscow University Geology Bulletin is the journal that mainly publishes scientific articles, short reports of graduate students, and reviews. Publications made by the members of the Faculty of Geology of the Moscow State University and their collaborators are published. Publications encompass all branches of geology.