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首页> 外文期刊>Zeitschrift fur Anorganische und Allgemeine Chemie >Structural effects of Cu/Zn substitution in the malachite-rosasite system
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Structural effects of Cu/Zn substitution in the malachite-rosasite system

机译：孔雀石-玫瑰铁石系统中铜/锌取代的结构效应

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摘要

Synthetic zincian malachite samples (Cu_(1-x)Zn_x) _2(OH)_2CO_3 with x = 0, 0.1, 0.2 and 0.3 were characterized by powder X-ray diffraction and optical spectroscopy. The XRD patterns of the samples up to x = 0.2 indicate single phase materials with an approximately linear dependence of the refined lattice parameters on the zinc content. In contrast, the sample with a nominal zinc content x = 0.3 shows the formation of a small amount of aurichalcite (Zn,Cu)_5(OH) _6(CO_3)_2 as an additional phase. Based on the lattice parameter variations, the zinc content of the zincian malachite component in this sample is estimated to be x ≈ 0.27, which seems to represent the maximum possible substitution in zincian malachite under the synthesis conditions applied. The results are discussed in relation to preparation of Cu/ZnO catalysts and the crystal structures of the minerals malachite and rosasite. One striking difference between these two structurally closely related phases is the orientation of the Jahn-Teller elongated axes of the CuO_6 octahedra in the unit cell, which seems to be correlated with the placement of the monoclinic β angle. The structural and chemical relationship between these crystallographically distinct phases is discussed using a hypothetical intermediate Zn_2(OH)_2CO_3 phase of higher orthorhombic symmetry. In addition to the crystallographic analysis, optical spectroscopy proves to be a useful tool for estimation of the Cu:Zn ratio in (Cu_(1-x)Zn_x)_2(OH) _2CO_3 samples.
机译：通过粉末X射线衍射和光谱法表征了合成的锌质孔雀石样品（Cu_（1-x）Zn_x）_2（OH）_2CO_3，其中x = 0、0.1、0.2和0.3。高达x = 0.2的样品的XRD图谱表明，单相材料的精炼晶格参数与锌含量近似线性相关。相比之下，标称锌含量x = 0.3的样品显示形成少量金刚砂（Zn，Cu）_5（OH）_6（CO_3）_2作为附加相。根据晶格参数变化，该样品中锌质孔雀石成分的锌含量估计为x≈0.27，这似乎代表了在所应用的合成条件下锌质孔雀石中最大可能的取代量。讨论了有关Cu / ZnO催化剂的制备以及孔雀石和玫瑰铁矿矿物晶体结构的结果。这两个在结构上密切相关的相之间的一个显着差异是晶胞中CuO_6八面体的Jahn-Teller长轴的取向，这似乎与单斜晶β角的位置有关。使用较高的正交对称性的假设中间Zn_2（OH）_2CO_3相讨论了这些晶体学上不同的相之间的结构和化学关系。除晶体学分析外，光谱学被证明是估计（Cu_（1-x）Zn_x）_2（OH）_2CO_3样品中Cu：Zn比的有用工具。

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