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High-temperature synthesis, single-crystal X-ray and neutron powder diffraction, and materials properties of Sr3Ln10Si18Al12O18N36 (Ln = Ce, Pr, Nd)

机译：高温合成，单晶X射线和中子粉末衍射，以及sr3Ln10si18al12O18N36（Ln = Ce，pr，Nd）的材料特性

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The novel oxonitridoaluminosilicates (sialons) Sr3Ln10Si18Al12O18N36 (Ln = Ce, Pr, Nd) were obtained by the reaction of the respective lanthanide metals with Si(NH)2, SrCO3, and AlN using a radiofrequency furnace at temperatures between 1550–1650°C. The crystal structures of the isotypic sialons were determined by single-crystal X-ray investigations (Sr3Ce10Si18Al12O18N36: I3m, Z = 2, a = 1338.2(2) pm, R1 = 0.0333; Sr3Pr10Si18Al12O18N36: a = 1334.54(6) pm, R1 = 0.0296; Sr3Nd10Si18Al12O18N36: a = 1332.85(6) pm, R1 = 0.0271) and in the case of Sr3Pr10Si18Al12O18N36 with powder neutron diffraction as well. The three-dimensional sialon network is built up by SiON3, SiN4, and AlON3 tetrahedra. Besides the bridging O and N atoms of the sialon network there are isolated O2− which are tetrahedrally coordinated by Sr and Ln. The crystallographic differentiation of Si/Al and O/N seemed to be possible by a careful evaluation of the single-crystal X-ray diffraction data combined with lattice energy calculations using the MAPLE concept (Madelung Part of Lattice Energy). In the case of Sr3Pr10Si18Al12O18N36 the differentiation of O and N and the proposed ordering was completely confirmed by powder neutron diffraction.

机译：新型的氧杂三铝硅酸盐（sialons）Sr3Ln10Si18Al12O18N36（Ln = Ce，Pr，Nd）是通过使镧系元素金属与Si（NH）2，SrCO3和AlN在1550至1650°C之间的温度下反应而获得的。通过单晶X射线研究（Sr3Ce10Si18Al12O18N36：I3m，Z = 2，a = 1338.2（2）pm，R1 = 0.0333; Sr3Pr10Si18Al18O12N18：a = 1334.54（6）pm，R1 = 0.0296; Sr3Nd10Si18Al12O18N36：a = 1332.85（6）pm，R1 = 0.0271），在Sr3Pr10Si18Al12O18N36的情况下也具有粉末中子衍射。三维赛隆网络由SiON3，SiN4和AlON3四面体构建。除了赛隆网络的O和N原子桥接外，还分离出O2-，它们由Sr和Ln四面体配位。通过仔细评估单晶X射线衍射数据并结合使用MAPLE概念（晶格能量的Madelung部分）进行晶格能量计算，似乎可以实现Si / Al和O / N的晶体学区分。在Sr3Pr10Si18Al12O18N36的情况下，通过粉末中子衍射可完全确认O和N的分化以及拟议的有序化。

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Lauterbach Rainer; Irran Elisabeth; Henry Paul F.; Weller Mark T.; Schnick Wolfgang;
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High-temperature synthesis, single-crystal X-ray and neutron powder diffraction, and materials properties of Sr3Ln10Si18Al12O18N36 (Ln = Ce, Pr, Nd)

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