Distribution of Bi in the crystal structure of Bi-rich jamesonite, FePb4 (Sb5.48Bi0.52)Σ6S14

IF 1.1 4区地球科学 Q3 GEOCHEMISTRY & GEOPHYSICS

Journal of Geosciences Pub Date : 2020-12-21 DOI:10.3190/JGEOSCI.312

R. Pažout

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引用次数: 2

Abstract

Crystal structure of Bi-rich jamesonite, FePb4Sb6S14, from Kutná Hora ore district, Czech Republic was solved from single-crystal X-ray diffraction data to establish whether bismuth shows a preference for any of the three antimony sites in the structure and whether increasing content of the element is placed in one specific site in the structure or is distributed over more sites. Jamesonite is monoclinic, P21/c, with a = 4.0237(3), b = 19.1136(17), c = 15.7813(15) Å, β = 91.799(7)°, V = 1213.10(18) Å3, Z = 2, Dcalc. = 5.7746 g·cm–3. The structural formula derived from the refinement is FePb4(Sb5.48Bi0.52)Σ6S14. The structure refinement (R = 5.22 %) of a needle-like crystal documents that out of three antimony sites in the structure, bismuth shows a preference for Sb1 and Sb3 sites in the lone-electron pair micelle of the [Pb4Sb6S13] substructure motif while the site Sb2 closest to the Fe octahedron is least inclined to accept bismuth. The refinement also reveals that bismuth content is simultaneously distributed over all three antimony sites and that the placement of bismuth first and preferentially into one antimony site does not take place.

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富铋詹姆斯长铁矿FePb4 (Sb5.48Bi0.52)Σ6S14晶体结构中Bi的分布

利用单晶x射线衍射数据分析了捷克kutn Hora矿区富铋詹姆斯钼矿FePb4Sb6S14的晶体结构，以确定铋在结构中是否优先于三种锑位点中的任何一种，以及增加的元素含量是位于结构中的一个特定位点还是分布在多个位点上。詹姆斯辉石单斜，P21/c, a = 4.0237(3)， b = 19.1136(17)， c = 15.7813(15) Å， β = 91.799(7)°，V = 1213.10(18) Å3, Z = 2, Dcalc。= 5.7746 g·cm-3。由改进得到的结构式为FePb4(Sb5.48Bi0.52)Σ6S14。针状晶体的结构细化(R = 5.22%)表明，在结构中的三个锑位中，铋偏爱[Pb4Sb6S13]亚结构基序的单电子对胶束中的Sb1和Sb3位，而最靠近Fe八面体的Sb2位最不倾向于接受铋。精化还表明，铋含量同时分布在所有三个锑位点上，并且铋优先放置在一个锑位点上的情况没有发生。

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来源期刊

Journal of Geosciences GEOSCIENCES, MULTIDISCIPLINARY-MINERALOGY

CiteScore

2.30

自引率

7.10%

发文量

审稿时长

>12 weeks

期刊介绍： The Journal of Geosciences is an international peer-reviewed journal published by the Czech Geological Society with support from the Czech Geological Survey. It accepts high-quality original research or review papers dealing with all aspects of the nature and origin of igneous and metamorphic rocks. The Journal focuses, mainly but not exclusively, on: -Process-oriented regional studies of igneous and metamorphic complexes- Research in structural geology and tectonics- Igneous and metamorphic petrology- Mineral chemistry and mineralogy- Major- and trace-element geochemistry, isotope geochemistry- Dating igneous activity and metamorphic events- Experimental petrology and mineralogy- Theoretical models of igneous and metamorphic processes- Mineralizing processes and mineral deposits. All the papers are written in English, even though they may be accompanied by an additional Czech abstract. Each contribution is a subject to peer review by at least two independent reviewers, typically at least one from abroad. The Journal appears 2 to 4 times a year. Formally it is divided in annual volumes, each of them including 4 issues.