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Variation of physical properties across the mineralogical system
Physics and Chemistry of Minerals ( IF 1.2 ) Pub Date : 2020-03-01 , DOI: 10.1007/s00269-020-01087-6
Milan Rieder

This work was undertaken to investigate whether physical data exhibit any tendencies spanning the whole mineralogical system. The chemical compositions of 4973 minerals was projected into two variables, Qual _4 and InfEnt , the first a function of the atomic numbers of elements present, the second, an indication of complexity of their stoichiometry. As the Z coordinates served density (1933 minerals and 476 ICSD entries); reflectance (565); mean refractive index (3001); and Vickers hardness VHN (462), all of them on logarithmic scale. Planes fitted to the first three datasets exhibit a pronounced increase with increasing atomic numbers of elements present ( Qual _4) and a mild decrease with the complexity of formulae ( InfEnt ). Contrariwise, the VHN set indicates a decrease with Qual _4 and an increase along the InfEnt axis. A set of 732 mean refractive indices (Shannon and Fischer in Am Miner 101:2288–2300, 2016) indicates an increase with Qual _4 but a mild increase (not decrease) along the InfEnt axis. There is considerable scatter in all plots, but regression equations presented here allow anyone to calculate rather rough estimates of physical data based on input chemical coordinates Qual _4 and InfEnt . The mineralogical interpretation of the results remains open; this is a first attempt.

中文翻译:

整个矿物系统中物理性质的变化

开展这项工作是为了调查物理数据是否表现出跨越整个矿物学系统的任何趋势。4973 种矿物的化学成分被预测为两个变量,Qual _4 和 InfEnt,第一个是存在元素的原子序数的函数,第二个是其化学计量复杂性的指示。由于 Z 坐标服务于密度(1933 种矿物和 476 种 ICSD 条目);反射率 (565); 平均折射率(3001);和维氏硬度 VHN (462),它们都是对数刻度。拟合到前三个数据集的平面随着存在的元素原子序数 (Qual_4) 的增加而显着增加,随着公式 (InfEnt) 的复杂性而略微降低。相反,VHN 集表示随着 Qual_4 的下降和沿 InfEnt 轴的增加。一组 732 平均折射率(Shannon 和 Fischer in Am Miner 101:2288–2300, 2016)表明 Qual _4 增加,但沿 InfEnt 轴温和增加(而非减少)。所有图中都有相当大的分散,但这里提供的回归方程允许任何人根据输入的化学坐标 Qual_4 和 InfEnt 计算物理数据的相当粗略的估计。结果的矿物学解释仍然开放;这是第一次尝试。结果的矿物学解释仍然开放;这是第一次尝试。结果的矿物学解释仍然开放;这是第一次尝试。
更新日期:2020-03-01
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