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A Novel High-Pressure Tin Oxynitride Sn2 N2 O.
Chemistry - A European Journal ( IF 4.3 ) Pub Date : 2020-01-22 , DOI: 10.1002/chem.201904529
Shrikant Bhat 1, 2 , Leonore Wiehl 3 , Shariq Haseen 4 , Peter Kroll 4 , Konstantin Glazyrin 1 , Philipp Gollé-Leidreiter 3 , Ute Kolb 3, 5 , Robert Farla 1 , Jo-Chi Tseng 1 , Emanuel Ionescu 3 , Tomoo Katsura 2 , Ralf Riedel 3
Affiliation  

We report the first oxynitride of tin, Sn2 N2 O (SNO), exhibiting a Rh2 S3 -type crystal structure with space group Pbcn. All Sn atoms are in six-fold coordination, in contrast to Si in silicon oxynitride (Si2 N2 O) and Ge in the isostructural germanium oxynitride (Ge2 N2 O), which appear in four-fold coordination. SNO was synthesized at 20 GPa and 1200-1500 °C in a large volume press. The recovered samples were characterized by synchrotron powder X-ray diffraction and single-crystal electron diffraction in the TEM using the automated diffraction tomography (ADT) technique. The isothermal bulk modulus was determined as Bo =193(5) GPa by using in-situ synchrotron X-ray diffraction in a diamond anvil cell. The structure model is supported by DFT calculations. The enthalpy of formation, the bulk modulus, and the band structure have been calculated.

中文翻译:

新型高压氧氮化锡Sn2 N2 O.

我们报道了锡的第一个氧氮化物Sn2 N2 O(SNO),显示出具有空间群Pbcn的Rh2 S3型晶体结构。所有的Sn原子都具有六重配位,而氮氧化硅(Si2 N2 O)中的Si和等构结构的氮氧化锗(Ge2 N2 O)中的Ge则具有四重配位。在大压力下,在20 GPa和1200-1500°C的温度下合成SNO。使用自动衍射层析成像(ADT)技术在TEM中通过同步加速器粉末X射线衍射和单晶电子衍射对回收的样品进行表征。通过在金刚石砧座中使用原位同步加速器X射线衍射将等温体积模量确定为Bo = 193(5)GPa。DFT计算支持该结构模型。已经计算出形成焓,体积模量和能带结构。
更新日期:2020-01-23
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