未取代富Sb维京岩Vik40,Ag2.85Pb12.35(Bi9.52Sb1.27)∑=10.80S30的晶体结构:位置群及其与维京岩Vig50,Ag3.5Pb11.0Bi11.5S30结构的比较

IF 1.1 4区 地球科学 Q3 GEOCHEMISTRY & GEOPHYSICS
R. Pažout, M. Dušek
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引用次数: 0

摘要

捷克共和国KutnáHora矿区的富锑维京岩的晶体结构,从单晶衍射数据中求解和细化,以确定与a)“锂铝石”取代2 Pb2+=Ag++Bi减少有关的金属位点的位点群;b)世界其他地区的维京岩中未知的Sb含量。维京岩为单斜晶系,C2/m,a=13.5394(10),b=4.0992(3),c=25.506(3)Å,β=95.597(8)°,V=1408.9(2)Å3,Z=1,Dc=7.0412 g/cm3。细化得到的结构式为Ag2.85Pb12.35(Bi9.52Sb1.27)∑=10.80S30,对应Vik40.0。维京岩的结构由四个八面体Me2–Me1–Me2的较薄板条(4L)和由Pb原子Me3以三棱柱配位分隔的七个八面面体Me4–Me5–Me6–Me7–Me6-Me5–Me4的较厚板条(7L)组成。该细化显示了Vik40的结构与之前发表的Vik50的结构之间的差异。L%在50%以下的下降在较薄4L板的边缘八面体位置Me2表现得最为明显,该位置变为Bi–Pb–Ag位置,其中28.6%的银仅次于50%的Bi和21.4%的Pb。来自4L板的中心Me1位点在Vik50中几乎是纯Bi位点(0.97 Bi+0.3Ag),在Vik40中变为具有少量Sb(0.54 Bi+0.06 Sb+0.40 Pb)的Bi-Pb位点。发现Sb对Bi的取代发生在较厚的7L板中的半边缘位置Me5(0.74 Bi+0.26 Sb),这是无Sb的Vik50中的纯Bi位置。针对Vik50的另一个重要变化发生在中心八面体位置Me6(Vik50中的纯Pb位置),尽管Bi含量随着L%的降低而降低,但该位置变成了Pb–Bi混合位置。验证了精细结构模型的正确性,并使用程序ECoN21中的电荷分布计算对混合场地的占用率进行了微调。在Vik40中,边缘位点Me2和Me4以及中心位点Me1的加权平均键长RAV显著大于Vik50,反映出较低的Ag含量和Pb的存在,而部分被Sb取代的Bi位点Me5和以Pb为代价具有少量Bi的位点Me6表现出充分缩短的RAV值。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Crystal structure of undersubstituted Sb-rich vikingite Vik40, Ag2.85Pb12.35(Bi9.52Sb1.27)Σ=10.80S30: site population and comparison with structure of vikingite Vik50, Ag3.5Pb11.0Bi11.5S30
Crystal structure of Sb-rich vikingite with lillianite substitution percentage L % below 50 % from Kutná Hora ore district, Czech Republic, was solved and refined from single-crystal diffraction data to determine the site populations of metal sites concerning a) the decreasing “lillianite“ substitution 2 Pb2+ = Ag+ + Bi; b) Sb content not known in vikingite from other localities throughout the world. Vikingite is monoclinic, C2/m, with a = 13.5394(10), b = 4.0992(3), c = 25.506(3) Å, β = 95.597(8)°, V = 1408.9(2) Å3, Z = 1, Dc = 7.0412 g/cm3. The structural formula derived from the refinement is Ag2.85Pb12.35(Bi9.52Sb1.27)Σ=10.80S30, corresponding to Vik40.0. The structure of vikingite is composed of thinner slabs (4L) of four octahedra Me2–Me1–Me1–Me2 and thicker slabs (7L) of seven octahedra Me4–Me5–Me6–Me7–Me6–Me5–Me4 separated by Pb atoms Me3 in trigonal prismatic coordination. The refinement showed differences between the structures of Vik40 and the previously published structure of Vik50. The drop of L % below 50 % shows most profoundly in the marginal octahedral site Me2 of the thinner 4L slabs, which becomes a Bi–Pb–Ag site with 28.6 % of silver next to 50 % of Bi and 21.4 % of Pb. The central Me1 site from 4L slabs which is almost a pure Bi site in Vik50 (0.97 Bi + 0.3 Ag) becomes a Bi-Pb site with minor Sb (0.54 Bi + 0.06 Sb + 0.40 Pb) in Vik40. The Sb for Bi substitution was found to take place in the semimarginal site Me5 (0.74 Bi + 0.26 Sb) in the thicker 7L slabs, which is a pure Bi site in Sb-free Vik50. Another important change against Vik50 occurs in central octahedral site Me6 (pure Pb site in Vik50), which becomes – despite the decrease in Bi content with decreasing L % – a Pb–Bi mix site. The correctness of the refined structural model was verified and the occupancies of mixed sites were fine-tuned employing charge distribution calculations in program ECoN21. In Vik40 weighted average bond lengths RAV of the marginal sites Me2 and Me4 and of the central site Me1 are significantly larger than in Vik50, reflecting the lower Ag content and the presence of Pb, while the Bi site Me5, which is partly substituted by Sb and the site Me6 with minor Bi at the expense of Pb exhibit adequately shortened RAV values.
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来源期刊
Journal of Geosciences
Journal of Geosciences GEOSCIENCES, MULTIDISCIPLINARY-MINERALOGY
CiteScore
2.30
自引率
7.10%
发文量
15
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.
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