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The crystal structure of cyanotrichite

机译:蓝晶石的晶体结构

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We report the single-crystal average structure of cyanotrichite, Cu4Al2[SO4](OH)(12)(H2O)(2), from the Maid of Sunshine mine, Arizona, USA. Cyanotrichite crystallizes in space group C2/m, with the unit-cell parameters a = 12.625(3), b = 2.8950(6), c = 10.153(2) angstrom and beta = 92.17(3)(degrees). All non-hydrogen atoms were located and refined to R-1 = 0.0394 for all 584 observed reflections [F-o > 4 sigma F-o] and 0.0424 for all 622 unique reflections. The cyanotrichite structure consists of a principal building unit of a three-wide [Cu2Al(OH)(6)] ribbon of edge-sharing Cu and Al polyhedra || b, similar to that found for camerolaite. The ribbons lie in layers || (001) and between these layers, while SO4 tetrahedra and H2O molecules form rods running || b. A hydrogen-bonding scheme is also proposed.
机译:我们报告了来自美国亚利桑那州阳光矿的女仆人的蓝晶石Cu4Al2 [SO4](OH)(12)(H2O)(2)的单晶平均结构。蓝晶石在C2 / m空间群中结晶,晶胞参数为a = 12.625(3),b = 2.8950(6),c = 10.153(2)埃和beta = 92.17(3)(度)。找到所有非氢原子并将其精炼为所有584次反射[F-o> 4 sigma F-o]的R-1 = 0.0394和所有622次唯一反射的0.0424。蓝晶石结构由边缘共享的Cu和Al多面体的三宽[Cu2Al(OH)(6)]带组成的主要构造单元。 b,类似于发现的芒硝。丝带成层|| (001)和这些层之间,而SO4四面体和H2O分子形成运行||的棒。 b。还提出了氢键方案。

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