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Materials Data on Er2Te3 by Materials Project

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Mendeley Data2024-01-31 更新2024-06-28 收录
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https://www.osti.gov/servlets/purl/1190806/
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Er2Te3 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing ErTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are two shorter (3.05 Å) and four longer (3.06 Å) Er–Te bond lengths. In the second Er3+ site, Er3+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing ErTe6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are four shorter (3.06 Å) and two longer (3.08 Å) Er–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Er3+ atoms. In the second Te2- site, Te2- is bonded in a rectangular see-saw-like geometry to four Er3+ atoms.

碲化铒(Er₂Te₃)结晶于正交晶系(orthorhombic)Fddd空间群(space group)。其晶体结构为三维构型。晶体结构中存在两个不等价的铒离子(Er³+)位点。在第一个铒离子位点中,Er³+与六个碲离子(Te²-)成键,形成兼具边共享与角共享特征的ErTe₆八面体(octahedra)。该类共角八面体的倾斜角范围为0~1°。此处Er-Te键长包含两个较短键长(3.05 Å)与四个较长键长(3.06 Å)。在第二个铒离子位点中,Er³+同样与六个Te²-成键,形成兼具边共享与角共享特征的ErTe₆八面体(octahedra)。该位点的共角八面体倾斜角为1°。此处Er-Te键长包含四个较短键长(3.06 Å)与两个较长键长(3.08 Å)。晶体结构中同时存在两个不等价的碲离子(Te²-)位点。在第一个碲离子位点中,Te²-以矩形跷跷板状配位几何与四个Er³+成键。在第二个碲离子位点中,Te²-同样以矩形跷跷板状配位几何与四个Er³+成键。
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2024-01-31
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