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首页> 外文期刊>Chemistry: A European journal >Ce-4[Si_4O_4N_6]O-A Hyperbolically Layered Oxonitridosilicate Oxide with an Ordered Distribution of Oxygen and Nitrogen
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Ce-4[Si_4O_4N_6]O-A Hyperbolically Layered Oxonitridosilicate Oxide with an Ordered Distribution of Oxygen and Nitrogen

机译：具有氧和氮有序分布的Ce-4 [Si_4O_4N_6] O-A双曲层状氧化三硅氧化硅

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摘要

The yellow-orange oxonitrido-silicate oxide Ce_4[Si_4O_4N_6]O was obtained by the reaction of cerium metal with Si(NH)_2 and SiO_2 in a radiofrequency frunace at 1560 deg C. The crystal structure was determined by single-crystal X-ray diffraction (a = 1033.67(60 pm, P2_13, Z = 4, R1 = 0.0412, wR2 = 0.0678) and powder neutron diffraction. In the solid there are complex cations [Ce_3O]~(10+) that are enveloped by a hyperbolical layer structure [Si_4O_4N_6]~(10-). The layer is built up by corner-sharing SiON_3 tetrahedra of Q~3 type. The oxygen atoms of the SiON_3 tetrahedra are terminally bound to Si, while all nitrogen atoms bridge two neighboring Si centres. The crystallographic differentiation of O and N was unequivocally possible by a careful evaluation of the singel-crystal X-ray diffraction data combined with latticenergy calculations by using the MA-PLE concept (Madelung part of lattice energy). Furthermore the results were confirmed by the chemical analyses. Subsequently, the determined N/O distribution and their crystallographic ordering was proved by neutron powder diffractoin. in accordance with the molar ratio Si:(O,N) = 2:5 the [Si_4O_4N_6]~(10-) network may be classified as a layer silicate. In this specific case a hyperbodically corrugated topology of the layers is observed; this is correlated to periodic nodal surface (PNS) representatives.
机译：通过铈金属与Si（NH）_2和SiO_2在1560摄氏度的射频熔炉中反应，获得橙黄色的氧化三氧化硅硅酸盐Ce_4 [Si_4O_4N_6] O。通过单晶X射线测定晶体结构衍射（a = 1033.67（60 pm，P2_13，Z = 4，R1 = 0.0412，wR2 = 0.0678）和粉末中子衍射。固体中存在复合阳离子[Ce_3O]〜（10+），被双曲线层包裹结构[Si_4O_4N_6]〜（10-）。该层是由Q〜3型的SiON_3四面体的角共享形成的，SiON_3四面体的氧原子末端键合到Si，而所有氮原子都桥接两个相邻的Si中心。通过仔细评估单晶X射线衍射数据并结合使用MA-PLE概念（晶格能量的Madelung部分）进行晶格能计算，可以明确地确定O和N的晶体学差异。化学分析。随后，检测N / O分布的确定及其结晶顺序由中子粉末衍射来证明。根据Si∶（O，N）＝ 2∶5的摩尔比，[Si_4O_4N_6]〜（10-）网络可以分类为层状硅酸盐。在这种特定情况下，观察到各层的双曲线波纹拓扑。这与周期性节点表面（PNS）代表相关。

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