Crystal structures and color properties of new complex perovskite oxynitrides AMg0.2Ta0.8O2.6N0.4 (A = Sr, Ba).
Crystal structures and color properties of new complex perovskite oxynitrides AMg0.2Ta0.8O2.6N0.4 (A = Sr, Ba).
复制标题
新型复合钙钛矿氮氧化物AMg0.2Ta0.8O2.6N0.4（A = Sr，Ba）的晶体结构和颜色特性。
DOI：
10.1039/c6dt00310a
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发表时间：
2016
影响因子：
4
通讯作者：
M. Avdeev
中科院分区：
文献类型：
--
作者：
K. Moon;Jung;Y. Sohn;D. W. Cho;Young;M. Avdeev
以A5Ta4O15和MgCl2为原料，在流动的NH3中反应，合成了新型复合钙钛矿型氧化物AMg0.2Ta0.8O2.6N0.4(A=Sr，Ba)。AMg0.2Ta0.8O2.6N0.4的形成可以描述为Mg(2+)+2N(3-)的协同插入和2O(2-)从层状氧化物A5Ta4O15中的释放。中子和同步辐射X射线衍射谱的Rietveld修正表明，BaMg0.2Ta0.8O2.6N0.4为简单立方结构(Pm3[结合马克龙]m)，而SrMg0.2Ta0.8O2.6N0.4为体心四方结构(I4/mcm)，分别为BaM0.2Ta0.8O2.8N0.2和SrM0.2Ta0.8O2.8N0.2(M=Li，Na)。在SrMg0.2Ta0.8O2.6N0.4中，氮是部分有序的，偏向于四方晶胞的ab面上的c轴位置，这是一个不同于SrLi0.2Ta0.8O2.8N0.2和SrNa0.2Ta0.8O2.8N0.2的O/N有序图。简单和复杂的钙钛矿族ATaO2N，AlLi0.2Ta0.8O2.8N0.2，ANa0.2Ta0.8O2.8N0.2和AMg0.2Ta0.8O2.6N0.4(A=Sr，Ba)覆盖禁带范围1.9-2.4 eV，颜色范围从黄色到深棕色。
New complex perovskite oxynitrides AMg0.2Ta0.8O2.6N0.4 (A = Sr, Ba) were synthesized by reacting A5Ta4O15 with MgCl2 in flowing NH3. The formation of AMg0.2Ta0.8O2.6N0.4 can be described as the cooperative insertion of Mg(2+) + 2N(3-) and the release of 2O(2-) from the layered oxide, A5Ta4O15. Rietveld refinement of the neutron and synchrotron X-ray diffraction patterns indicated that BaMg0.2Ta0.8O2.6N0.4 is simple cubic (Pm3[combining macron]m) 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, ATaO2N, ALi0.2Ta0.8O2.8N0.2, ANa0.2Ta0.8O2.8N0.2, and AMg0.2Ta0.8O2.6N0.4 (A = Sr, Ba) covers the band gap range, 1.9-2.4 eV, and the color ranges from yellow to dark brown.