Jáchymov砷酸盐矿物重晶石的分子结构——振动光谱研究

IF 1.1 4区地球科学 Q3 GEOCHEMISTRY & GEOPHYSICS

Journal of Geosciences Pub Date : 2020-12-02 DOI:10.3190/JGEOSCI.292

J. Sejkora, J. Plášil, J. Čejka, Z. Dolníček, R. Pavlíček

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引用次数: 2

摘要

我们对来自第二世界的砷酸盐矿物重晶石进行了研究，该矿物为Jáchymov（捷克共和国）。重晶石以无色至白色结晶球形和半球状聚集体的形式出现，直径可达0.3mm，由强风化岩石和脉石碎片上的富结壳组成。重晶石的化学组成与水铝石矿物群的一般化学计量非常一致，并对应于以下经验公式：Ca1.00（Mg1.24Ca0.69 0.06Mn0.01）∑2.00Ca2.00[（AsO3OH）2.13（AsO4）1.84（PO4）0.03]∑4.00·4H2O。重晶石为单斜晶系，空间群C2/c，晶胞参数从X射线粉末衍射数据中提炼：a 18.618（5），b 9.421（2），c 9.988（2）Å、β96.86（2）o和V 1739.4（7）Å3。3456、3400、3194 cm–1处的拉曼光谱带和3450、3348、3201和3071 cm–1的红外光谱带被归属于结构上不同的氢键水分子。2887、2416 cm–1处的拉曼光谱带和2904、2783 cm–1的红外光谱带与氢键（AsO3OH）单元中的ΓOH伸缩有关。1656、1578 cm–1处的拉曼光谱和1652、1601 cm–1的红外光谱归属于通过不同强度的氢键结合在结构中的结构不同的氢键水分子的Γ2（δ）H2O弯曲振动。1284 cm–1处的拉曼带以及1091和1061 cm–1的红外带可能与δAs–OH弯曲振动有关。902、861、828、807、758 cm–1处最突出的拉曼光谱带和932、899、863、815、746 cm–l处的红外光谱带归因于重叠的Γ1（AsO4）对称拉伸、Γ3（AsO4）反对称拉伸、Ⅶ1（AsO3OH）对称拉伸和Γ3。693 cm–1处的拉曼光谱和721634 cm–1的红外光谱归属于δAsOH弯曲和分子水振动模式。拉曼光谱506、469、451、436 cm–1和503、466和417 cm–2处的红外光谱与γ4（δ）（AsO4）和（HOAsO3）弯曲振动有关。389、360、346和302 cm–1处的拉曼光谱与γ2（δ）（AsO4）和（HOAsO3）弯曲振动有关。275和238 cm–1处的拉曼谱带归属于Γ（OH‧‧‧‧O）拉伸振动，190、162、110、100和75 cm–1的拉曼谱线归属于晶格模式。

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Molecular structure of the arsenate mineral chongite from Jáchymov – a vibrational spectroscopy study

We have undertaken a study of the arsenate mineral chongite from the second world occurrence, which is Jáchymov (Czech Republic). Chongite occurs as colourless to white crystalline spherical and hemispherical aggregates up to 0.3 mm across composed of rich crusts on strongly weathered fragments of rocks and gangue. The chemical composition of chongite agrees well with the general stoichiometry of the hureaulite group of minerals and corresponds to the following empirical formula: Ca1.00(Mg1.24Ca0.69 0.06Mn0.01)Σ2.00Ca2.00[(AsO3OH)2.13(AsO4)1.84(PO4)0.03]Σ4.00·4H2O. Chongite is monoclinic, space group C2/c, with the unit-cell parameters refined from X-ray powder diffraction data: a 18.618(5), b 9.421(2), c 9.988(2) Å, β 96.86(2)o and V 1739.4(7) Å3. Raman bands at 3456, 3400, 3194 cm–1 and infrared bands at 3450, 3348, 3201 and 3071 cm–1 are assigned to the ν OH stretching structurally distinct differently hydrogen bonded water molecules. Raman bands at 2887, 2416 cm–1 and infrared bands at 2904, 2783 cm–1 are connected to ν OH stretching in hydrogen bonded (AsO3OH) units. Raman bands at 1656, 1578 cm–1 and infrared bands at 1652, 1601 cm–1 are assigned to the ν2 (δ) H2O bending vibrations of structurally distinct hydrogen bonded water molecules bonded in the structure by H-bonds of various strength. A Raman band at 1284 cm–1 and infrared bands at 1091 and 1061 cm–1 may be connected to the δ As–OH bending vibrations. The most prominent Raman bands at 902, 861, 828, 807, 758 cm–1 and infrared bands at 932, 899, 863, 815, 746 cm–1 are attributed to overlapping ν1 (AsO4) symmetric stretching, ν3 (AsO4) antisymmetric stretching, ν1 (AsO3OH) symmetric stretching, and ν3 (AsO3OH) antisymmetric stretching vibrations. Raman band at 693 cm–1 and infrared bands at 721, 634 cm–1 are assigned to δ AsOH bend and molecular water libration modes. Raman bands 506, 469, 451, 436 cm–1 and infrared bands at 503, 466 and 417 cm–1 are connected with the ν4 (δ) (AsO4) and (HOAsO3) bending vibrations. Raman bands at 389, 360, 346 and 302 cm–1 are related to the ν2 (δ) (AsO4) and (HOAsO3) bending vibrations. Raman bands at 275 and 238 cm–1 are assigned to the ν (OH⋅⋅⋅O) stretching vibrations and those at 190, 162, 110, 100 and 75 cm–1 to lattice modes.

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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.