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Concerning the incorporation of potassium in the crystal structure of combeite (Na2Ca2Si3O9)
Mineralogy and Petrology ( IF 1.8 ) Pub Date : 2022-12-28 , DOI: 10.1007/s00710-022-00801-2
Volker Kahlenberg

Potassium incorporation in the structure of combeite has been studied in detail. Since natural combeites are known to contain only small amounts of potassium focus was laid on the Na-rich part of a hypothetical solid-solution series with composition Na2-xKxCa2Si3O9. Samples were prepared from mixtures of silica and the corresponding carbonates for nominal compositions with x = 0.2, 0.3 and 0.5, heated from ambient temperature to 1350 °C and slowly cooled to 1000 °C. After disintegration of the carbonates, the platinum capsules used as sample containers were welded shut in order to avoid losses of the volatile K2O and Na2O components. From all three batches potassium containing combeite crystals could be retrieved. Single-crystal diffraction experiments revealed the following compositions: Na2.10(1)K0.11(1)Ca1.90(1)Si3O9, Na2.09(1)K0.18(1)Ca1.91(1)Si3O9 and Na2.13(1)K0.18(1)Ca1.87(1)Si3O9. Consistently, the trigonal crystals (space group P 31 2 1) contained (i) (K + Na):Ca ratios larger than 1:1 and (ii) potassium concentrations lower than those in the starting mixtures. Since the K-contents of the samples obtained from the runs with x = 0.3 and 0.5 were almost identical, the solid-solution seems to be rather limited with an upper boundary of about one potassium atom per unit cell. The structure of the K-containing combeites is very close to the K-free structures reported in the literature. It can be described as a mixed tetrahedral-octahedral network in which additional K, Na and Ca cations are incorporated for charge compensation. A detailed analysis of the topological features of the net is presented. From the six observed extra-framework sites only the M22 position showing a coordination environment with ten next oxygen neighbours is involved in the K-substitution. Potassium uptake is also reflected in increasing values for the lattice parameters a and c as well as the unit-cell volumes. Actually, the c-axis is more affected from the incorporation of the comparatively large K+-cations.



中文翻译:

关于在复合镁石 (Na2Ca2Si3O9) 的晶体结构中掺入钾

已经详细研究了复合镁石结构中钾的掺入。由于已知天然复合沸石仅含有少量钾,因此将重点放在假设固溶体系列的富钠部分,其组成为 Na 2-x K x Ca 2 Si 3 O 9。样品由二氧化硅和相应碳酸盐的混合物制备,标称组成为 x = 0.2、0.3 和 0.5,从环境温度加热至 1350 °C,然后缓慢冷却至 1000 °C。碳酸盐分解后,将用作样品容器的铂胶囊焊接起来,以避免挥发性 K 2 O 和 Na 2的损失O 组件。从所有三个批次中都可以回收含钾的 Combeite 晶体。单晶衍射实验揭示了以下组成:Na 2.10(1) K 0.11(1) Ca 1.90(1) Si 3 O 9、Na 2.09(1) K 0.18(1) Ca 1.91(1) Si 3 O 9和Na 2.13(1) K 0.18(1) Ca 1.87(1) Si 3 O 9。一致地,三角晶体(空间群P 3 12 1) 包含 (i) (K + Na):Ca 比率大于 1:1 和 (ii) 钾浓度低于起始混合物中的钾浓度。由于从 x = 0.3 和 0.5 的运行中获得的样品的 K 含量几乎相同,因此固溶体似乎相当有限,每个晶胞的上限约为一个钾原子。含钾复合体的结构与文献中报道的无钾结构非常接近。它可以被描述为一个混合的四面体-八面体网络,其中加入了额外的 K、Na 和 Ca 阳离子用于电荷补偿。详细分析了网络的拓扑特征。从六个观察到的框架外位点中,只有 M22 位置显示与十个下一个氧邻居的协调环境参与了 K 取代。ac以及晶胞体积。实际上,c轴受相对较大的 K +阳离子的影响更大。

更新日期:2022-12-28
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