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首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >Crystal structures and color properties of new complex perovskite oxynitrides AMg(0.2)Ta(0.8)O(2.6)N(0.4) (A = Sr, Ba)
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Crystal structures and color properties of new complex perovskite oxynitrides AMg(0.2)Ta(0.8)O(2.6)N(0.4) (A = Sr, Ba)

机译:新型复合钙钛矿型氧氮化物AMg(0.2)Ta(0.8)O(2.6)N(0.4)的晶体结构和颜色特性(A = Sr,Ba)

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摘要

New complex perovskite oxynitrides AMg(0.2)Ta(0.8)O(2.6)N(0.4) (A = Sr, Ba) were synthesized by reacting A(5)Ta(4)O(15) with MgCl2 in flowing NH3. The formation of AMg(0.2)Ta(0.8)O(2.6)N(0.4) can be described as the cooperative insertion of Mg2+ + 2N(3-) and the release of 2O(2-) from the layered oxide, A(5)Ta(4)O(15). Rietveld refinement of the neutron and synchrotron X-ray diffraction patterns indicated that BaMg0.2Ta0.8O2.6N0.4 is simple cubic (Pm (3) over barm) and SrMg0.2Ta0.8O2.6N0.4 is body-centered tetragonal (I4/mcm), isostructural with BaM0.2Ta0.8O2.8N0.2 and SrM0.2Ta0.8O2.8N0.2 (M = Li, Na), respectively. The nitrogen in SrMg0.2Ta0.8O2.6N0.4 is partially ordered favoring the c-axial site over the ab-plane of the tetragonal cell, which is a different O/N order pattern from that of SrLi0.2Ta0.8O2.8N0.2 and SrNa0.2Ta0.8O2.8N0.2. The group of simple and complex perovskites, ATaO(2)N, ALi(0.2)Ta(0.8)O(2.8)N(0.2), ANa(0.2)Ta(0.8)O(2.8)N(0.2), and AMg(0.2)Ta(0.8)O(2.6)N(0.4) (A = Sr, Ba) covers the band gap range, 1.9-2.4 eV, and the color ranges from yellow to dark brown.
机译:通过使A(5)Ta(4)O(15)与MgCl2在流动的NH3中反应来合成新的复杂钙钛矿型氧氮化物AMg(0.2)Ta(0.8)O(2.6)N(0.4)(A = Sr,Ba)。 AMg(0.2)Ta(0.8)O(2.6)N(0.4)的形成可以描述为Mg2 + + 2N(3-)的协同插入以及层状氧化物A(2 5)Ta(4)O(15)。中子和同步加速器X射线衍射图的Rietveld精炼表明,BaMg0.2Ta0.8O2.6N0.4是简单立方晶(Pm(3)over barm),而SrMg0.2Ta0.8O2.6N0.4是体心四边形( I4 / mcm),分别用BaM0.2Ta0.8O2.8N0.2和SrM0.2Ta0.8O2.8N0.2(M = Li,Na)进行同构。 SrMg0.2Ta0.8O2.6N0.4中的氮有序排列,有利于方形电池ab平面上的c轴位,这是与SrLi0.2Ta0.8O2.8N0的O / N有序模式.2和SrNa0.2Ta0.8O2.8N0.2。简单和复杂钙钛矿,ATaO(2)N,ALi(0.2)Ta(0.8)O(2.8)N(0.2),ANa(0.2)Ta(0.8)O(2.8)N(0.2)和AMg的组(0.2)Ta(0.8)O(2.6)N(0.4)(A = Sr,Ba)覆盖了1.9-2.4 eV的带隙范围,颜色范围从黄色到深棕色。

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