Crystal Structure of Fe1‐xTe (x=0.38),Zeitschrift für anorganische und allgemeine Chemie

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Crystal Structure of Fe1‐xTe (x=0.38)
Zeitschrift für anorganische und allgemeine Chemie ( IF 1.1 ) Pub Date : 2021-01-22 , DOI: 10.1002/zaac.202000389
Yurii Prots ₁ , Lev Akselrud _{1,

2} , Marcus Schmidt ₁ , Ulrich Burkhardt ₁ , Sahana Rößler ₁ , Yuri Grin ₁ , Ulrich Schwarz ₁

Affiliation

The phase Fe_1‐xTe (x=0.38) was obtained by short‐distance chemical transport. The compound adopts a NiAs‐like crystal structure, which exhibits intricate defect ordering. The substructure is described in a small unit cell (space group P $urn:x-wiley:00442313:media:zaac202000389:zaac202000389-math-0001$ m1, a=3.7892(1) Å, c=5.6896(2) Å, Z=2) with iron deficiency in every second layer along [001]. Single crystal diffraction data evidence a 2a×2a×2c unit cell. This atomic arrangement is described by means of a 3D superstructure and by a 3+1D model using a modulated 2a×2a×c supercell, respectively.

中文翻译：

Fe1-xTe的晶体结构（x = 0.38）

Fe _1-x Te（x = 0.38）相是通过短距离化学传输获得的。该化合物采用类似NiAs的晶体结构，具有复杂的缺陷有序性。子结构在一个小单元格中描述（空间组P $缸：x-wiley：00442313：media：zaac202000389：zaac202000389-math-0001$ m 1，a = 3.7892（1）Å，c = 5.6896（2）Å，Z = 2），沿着[001]在每隔第二层中都有铁缺乏。单晶衍射数据证明是2 a ×2 a ×2 c晶胞。这种原子排列是通过3D上层结构和使用调制2 a ×2 a × c的3 + 1D模型来描述的超级电池。

更新日期：2021-02-05

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