Spectra and diagrams from single-crystal Raman spectroscopy of natural paulmooreite Pb2As2O5 in comparison with the synthesized analog

Paulmooreite is a lead arsenite mineral containing dimeric [As2O5]4− units. A natural paulmooreite sample was kindly supplied by the Swedish Museum of Natural History (specimen number NRM532109). In preparing a synthetic analog of paulmooreite, hydrothermal and wet synthetic methods were explored including the method given by ( Pertlik, F (1988) The single chain arsenites Pb(AsO2)3Cl. Preparation and structure investigation. Zeitschrift für Kristallographie, 184, 191-201) who reported the presence of Pb2As2O5 among the products of the hydrothermal synthesis of Pb2(AsO2)3Cl.

Figure 1 is (a) [As2O5]4− dimer in parallel orientation (As = light gray). (b) [As2O5]4− dimer in paulmooreite (90° orientation). Figure 2 shows XRD pattern of the product of reaction P3 and Figure 3 XRD pattern of the product of reaction H1. Figure 4 is (a) SEM micrograph of product of reaction W1. (b) SEM micrograph of product of reaction W2. Figure 5 shows the Raman spectra of natural and synthetic paulmooreite in the 800–100 cm−1 region. Figure 6 is oriented single-crystal spectra of natural paulmooreite in the 830–670 cm−1 region. Figure 7 shows oriented single-crystal spectra of synthetic paulmooreite in the 900–550 cm−1 region. Figure 8 is oriented single-crystal spectra of synthetic paulmooreite in the 600–100 cm−1 region. Figure 9 is oriented single-crystal spectra of natural paulmooreite in the 700–250 cm−1 region. Figure 10 shows oriented single-crystal spectra of natural paulmooreite in the 250–100 cm−1 region. Figure 11 is stacked Raman spectra of paulmooreite, Pb5(AsO3)3Cl, PbAs2O4, Pb2(AsO2)3Cl, and HF calculated Raman spectrum of paulmooreite.

保罗摩尔石是一种主要的砷化物矿物，其结构中包含二聚的 [As2O5]4- 单元。瑞典自然历史博物馆（标本编号 NRM532109）慷慨提供了天然保罗摩尔石样品。在制备保罗摩尔石的合成类似物时，探索了包括（Pertlik, F (1988) 单链砷化物 Pb(AsO2)3Cl 的制备与结构研究。晶体学杂志，184，191-201）所提出的方法在内的水热和湿法合成方法，该研究报道了在水热合成 Pb2(AsO2)3Cl 的产物中存在 Pb2As2O5。图1展示了：(a) 平行取向的 [As2O5]4- 二聚体（As 为浅灰色）。(b) 保罗摩尔石中的 [As2O5]4- 二聚体（90°取向）。图2展示了反应P3产物的高分辨率X射线衍射（XRD）模式，图3展示了反应H1产物的XRD模式。图4为：(a) 反应W1产物的扫描电子显微镜（SEM）显微照片。(b) 反应W2产物的SEM显微照片。图5展示了自然和合成保罗摩尔石在800-100 cm-1区域内的拉曼光谱。图6为自然保罗摩尔石在830-670 cm-1区域内的定向单晶光谱。图7展示了合成保罗摩尔石在900-550 cm-1区域内的定向单晶光谱。图8为合成保罗摩尔石在600-100 cm-1区域内的定向单晶光谱。图9为自然保罗摩尔石在700-250 cm-1区域内的定向单晶光谱。图10展示了自然保罗摩尔石在250-100 cm-1区域内的定向单晶光谱。图11为保罗摩尔石、Pb5(AsO3)3Cl、PbAs2O4、Pb2(AsO2)3Cl以及计算得到的保罗摩尔石的拉曼光谱。