Md. Izzuddin Jundullah Hanafi, M. Mangir Murshed, Lars Robben, Thorsten M. Gesing
{"title":"与火星残积岩相关的(Mg1-x Fe x)2SiO4橄榄石相的机械化学合成:结构和光谱特性分析","authors":"Md. Izzuddin Jundullah Hanafi, M. Mangir Murshed, Lars Robben, Thorsten M. Gesing","doi":"10.1515/zkri-2024-0078","DOIUrl":null,"url":null,"abstract":"To fabricate metals from the base materials for future Mars exploration, synthesis of representative olivine phases and their structural and spectroscopic characterizations are of crucial importance. Using mechanochemical technique that mimics the mechanical weathering, a complete solid solution of (Mg<jats:sub>1−<jats:italic>x</jats:italic> </jats:sub>Fe<jats:sub> <jats:italic>x</jats:italic> </jats:sub>)<jats:sub>2</jats:sub>SiO<jats:sub>4</jats:sub> has been synthesized to investigate the associated crystal chemical properties. X-ray powder diffraction data Rietveld analysis confirms that each polycrystalline sample crystallizes in space group <jats:italic>Pbnm</jats:italic>. The average crystallite size ranges between 80(1) nm and 223(4) nm. Each lattice parameter increases with increasing Fe-content due to the larger Fe<jats:sup>2+</jats:sup> radius than that of Mg<jats:sup>2+</jats:sup>, following Vegard’s rule. For a given nominal chemical composition, substitution of Mg with Fe at the <jats:italic>M</jats:italic>1-site (4<jats:italic>a</jats:italic>: 0,0,0) is preferred to the <jats:italic>M</jats:italic>2-site (4<jats:italic>c</jats:italic>: <jats:italic>x</jats:italic>,<jats:italic>y</jats:italic>,¼). As a consequence, the average Fe-content lies slightly below the equivalence line for <jats:italic>x</jats:italic> = 0.2–0.8, indicating that the Fe/Mg ratio in the amorphous scattering content is most likely greater than unity. Characteristic Raman spectral features of the olivines have been explained in terms of the chemical composition (<jats:italic>x</jats:italic>). Simple regression models are demonstrated based on both X-ray diffraction and Raman spectroscopic data for the calculation of Mg/Fe in olivines. Diffuse reflectance UV/Vis spectra RATD analysis shows each olivine phase possesses direct band-gap between 3.38(3) eV and 4.90(3) eV. This study could keep valuable information to relevant databases for future human missions on Mars, in particular, for precise estimation of the representative olivines from the remote X-ray diffraction and spectroscopic data.","PeriodicalId":23855,"journal":{"name":"Zeitschrift für Kristallographie - Crystalline Materials","volume":"45 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-07-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Mechanochemical synthesis of (Mg1−x Fe x )2SiO4 olivine phases relevant to Martian regolith: structural and spectroscopic characterizations\",\"authors\":\"Md. Izzuddin Jundullah Hanafi, M. Mangir Murshed, Lars Robben, Thorsten M. Gesing\",\"doi\":\"10.1515/zkri-2024-0078\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"To fabricate metals from the base materials for future Mars exploration, synthesis of representative olivine phases and their structural and spectroscopic characterizations are of crucial importance. Using mechanochemical technique that mimics the mechanical weathering, a complete solid solution of (Mg<jats:sub>1−<jats:italic>x</jats:italic> </jats:sub>Fe<jats:sub> <jats:italic>x</jats:italic> </jats:sub>)<jats:sub>2</jats:sub>SiO<jats:sub>4</jats:sub> has been synthesized to investigate the associated crystal chemical properties. X-ray powder diffraction data Rietveld analysis confirms that each polycrystalline sample crystallizes in space group <jats:italic>Pbnm</jats:italic>. The average crystallite size ranges between 80(1) nm and 223(4) nm. Each lattice parameter increases with increasing Fe-content due to the larger Fe<jats:sup>2+</jats:sup> radius than that of Mg<jats:sup>2+</jats:sup>, following Vegard’s rule. For a given nominal chemical composition, substitution of Mg with Fe at the <jats:italic>M</jats:italic>1-site (4<jats:italic>a</jats:italic>: 0,0,0) is preferred to the <jats:italic>M</jats:italic>2-site (4<jats:italic>c</jats:italic>: <jats:italic>x</jats:italic>,<jats:italic>y</jats:italic>,¼). As a consequence, the average Fe-content lies slightly below the equivalence line for <jats:italic>x</jats:italic> = 0.2–0.8, indicating that the Fe/Mg ratio in the amorphous scattering content is most likely greater than unity. Characteristic Raman spectral features of the olivines have been explained in terms of the chemical composition (<jats:italic>x</jats:italic>). Simple regression models are demonstrated based on both X-ray diffraction and Raman spectroscopic data for the calculation of Mg/Fe in olivines. Diffuse reflectance UV/Vis spectra RATD analysis shows each olivine phase possesses direct band-gap between 3.38(3) eV and 4.90(3) eV. 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引用次数: 0
摘要
要从基础材料中制造出用于未来火星探测的金属,合成具有代表性的橄榄石相并研究其结构和光谱特性至关重要。利用模拟机械风化的机械化学技术,合成了 (Mg1-x Fe x )2SiO4 的完整固溶体,以研究相关的晶体化学特性。X 射线粉末衍射数据里特维尔德分析证实,每个多晶样品都在 Pbnm 空间群中结晶。平均晶粒大小介于 80(1) nm 和 223(4) nm 之间。由于 Fe2+ 的半径比 Mg2+ 的半径大,因此根据 Vegard 规则,每个晶格参数都会随着铁含量的增加而增加。对于给定的标称化学成分,在 M1 位点(4a:0,0,0)用铁取代镁比在 M2 位点(4c:x,y,¼)优先。因此,在 x = 0.2-0.8 时,平均铁含量略低于等值线,这表明非晶散射含量中的铁/镁比很可能大于一。橄榄石的拉曼光谱特征可以用化学成分(x)来解释。根据 X 射线衍射和拉曼光谱数据建立了简单的回归模型,用于计算橄榄石中的镁/铁含量。漫反射紫外/可见光谱 RATD 分析表明,每种橄榄石相都具有介于 3.38(3) eV 和 4.90(3) eV 之间的直接带隙。这项研究可以为未来人类火星任务的相关数据库提供有价值的信息,特别是可以从远程 X 射线衍射和光谱数据中精确地估算出具有代表性的橄榄石。
Mechanochemical synthesis of (Mg1−x Fe x )2SiO4 olivine phases relevant to Martian regolith: structural and spectroscopic characterizations
To fabricate metals from the base materials for future Mars exploration, synthesis of representative olivine phases and their structural and spectroscopic characterizations are of crucial importance. Using mechanochemical technique that mimics the mechanical weathering, a complete solid solution of (Mg1−xFex)2SiO4 has been synthesized to investigate the associated crystal chemical properties. X-ray powder diffraction data Rietveld analysis confirms that each polycrystalline sample crystallizes in space group Pbnm. The average crystallite size ranges between 80(1) nm and 223(4) nm. Each lattice parameter increases with increasing Fe-content due to the larger Fe2+ radius than that of Mg2+, following Vegard’s rule. For a given nominal chemical composition, substitution of Mg with Fe at the M1-site (4a: 0,0,0) is preferred to the M2-site (4c: x,y,¼). As a consequence, the average Fe-content lies slightly below the equivalence line for x = 0.2–0.8, indicating that the Fe/Mg ratio in the amorphous scattering content is most likely greater than unity. Characteristic Raman spectral features of the olivines have been explained in terms of the chemical composition (x). Simple regression models are demonstrated based on both X-ray diffraction and Raman spectroscopic data for the calculation of Mg/Fe in olivines. Diffuse reflectance UV/Vis spectra RATD analysis shows each olivine phase possesses direct band-gap between 3.38(3) eV and 4.90(3) eV. This study could keep valuable information to relevant databases for future human missions on Mars, in particular, for precise estimation of the representative olivines from the remote X-ray diffraction and spectroscopic data.