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Mallestigite, Pb3Sb(SO4)(AsO4)(OH)6·3H2O, from the type locality – new data, crystal structure, and structural relationships
Mineralogy and Petrology ( IF 1.8 ) Pub Date : 2023-09-11 , DOI: 10.1007/s00710-023-00837-y
Kurt Mereiter , Franz Walter , Hans-Peter Bojar

A report of the supergene mineral mallestigite, Pb3Sb5+(SO4)(AsO4)(OH)6·3H2O, from the type locality Neufinkenstein-Grabanz district, Mallestiger Mittagskogel, Carinthia, Austria, is given in order to close gaps that have been left open since its first description. At the type locality, the dump of an abandoned small copper-lead-zinc mine, the mineral occurs frequently in up to ⁓2 mm long clear colourless idiomorphic hexagonal prisms {100} terminated by the bipyramid {101}. Details of the occurrence, paragenesis, physical properties, a FTIR spectrum and X-ray powder diffraction data are reported. Chemical analysis in a scanning electron microscope in conjunction with a crystal structure analysis gave the empirical formula Pb3.02Sb1.06(SO4)0.96(AsO4)0.97(OH)6·3H2O. An ab-initio crystal structure determination with CCD diffractometer data, MoKα radiation, and a nearly untwinned crystal proved that mallestigite is hexagonal, space group P63a = 8.9326(4), c = 11.1044(5) Å, V = 767.33(8) Å3, Z = 2, and gave a final R1 = 0.0184 for 1632 independent reflections with I > 2σ(I). Mallestigite belongs to the fleischerite group. The structure is built up from [Sb5+(OH)6]1– octahedra which are linked by triplets of edge-sharing Pb2+ into chains [Pb3Sb(OH)6]5+ extending along a 63 axis. Each three of such chains are bridged by triplets of H2O and by rows of SO42– and AsO43– tetrahedra alternating along a 3-fold axis and showing very different links to the Pb atom. Pb2+ is in a strongly distorted one-sided [9]-coordination by O atoms that makes the structure clearly hemimorphic. Structural relationships to the fleischerite group minerals schaurteite, genplesite, despujolsite and fleischerite as well as to synthetic Ba3Sn4+(SeO4)2(OH)6·3H2O are outlined and changes in the space group symmetry of despujolsite (P\(\overline6\)2c → P63/mmc) and fleischerite (P\(\overline6\)2c → P63) are proposed.



中文翻译:

铁灰石,Pb3Sb(SO4)(AsO4)(OH)6·3H2O,来自类型产地 – 新数据、晶体结构和结构关系

表生矿物铁黄石Pb 3 Sb 5+ (SO 4 )(AsO 4 )(OH) 6 ·3H 2的报道O 来自奥​​地利克恩顿州 Mallestiger Mittagskogel 的模式产地 Neufinkenstein-Grabanz 区,是为了弥补自首次描述以来一直存在的空白。在典型产地,即一座废弃的小型铜铅锌矿堆中,该矿物经常以长达 ⁓2 毫米的透明无色自形六角棱柱体 {100} 形式出现,其末端为双锥体 {101}。报告了发生、共生、物理性质、FTIR 光谱和 X 射线粉末衍射数据的详细信息。扫描电子显微镜化学分析结合晶体结构分析得出经验式 Pb 3.02 Sb 1.06 (SO 4 ) 0.96 (AsO 4 ) 0.97(OH) 6 ·3H 2 O。利用CCD衍射仪数据、Mo K α 辐射和近非孪生晶体进行从头算晶体结构测定,证明铁黄石是六方晶系,空间群P 6 3,  a  = 8.9326(4),c  = 11.1044(5) Å,V  = 767.33(8) Å 3Z = 2,并给出1632 个独立反射的 最终R 1 = 0.0184,其中I  > 2σ( I )。铁辉石属于闪石族。该结构由 [Sb 5+ (OH) 6 ] 1–组成八面体通过共享边缘的三元组 Pb 2+连接成沿 6 3轴延伸的链 [Pb 3 Sb(OH) 6 ] 5+ 。每三个这样的链均由三重态 H 2 O 和沿三重轴交替的 SO 4 2–和 AsO 4 3–四面体行桥接,并显示出与 Pb 原子的非常不同的连接。Pb 2+与 O 原子形成强烈扭曲的单侧 [9]-配位,这使得结构明显具有异象性。与闪辉石族矿物钠镁石、闪辉石、斜锰矿和闪辉石以及合成 Ba 3 Sn的结构关系4+ (SeO 4 ) 2 (OH) 6 ·3H 2 O 概述了赤铁矿 ( P \(\overline6\) 2c → P 6 3 / mmc ) 和闪镁石 ( P \(\overline6 ) 空间群对称性的变化\) 2c → P 6 3 ) 被提出。

更新日期:2023-09-14
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