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小全1216

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The structure of NaCa4Nb5O17
consists of perovskite slabs with five consecutive cornersharing
NbO6 octahedra stacked along the y direction. Among
the Nb atoms, two (in the middle of the slabs) lie on inversion
centres, while the Ca and Na atoms are located in the oxygencoordinated
cavities between the octahedra, with a preference
to share the sites inside the slabs, while the inter-slab positions
are fully occupied by Ca atoms.
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yqj89

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崇德瀹智

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爱与雨下: 金币+1 2017-03-21 06:44:36
小全1216: 金币+50, 翻译EPI+1, ★★★★★最佳答案 2017-03-21 09:47:12
NaCa4Nb5O17 的晶体结构中含有钙钛矿类的板状结构(perovskite slabs,分子通式为ABO3的“113结构”)。该(晶胞)结构中含有5个沿y轴连续堆叠(consecutive……stacked)的共角(cornersharing,角与角相连)NbO6八面体结构。在这些Nb原子当中,有两个Nb原子(处于板状结构中央)位于晶体的两个对称中心(这里应该是inversion center,而不是 inversion centres)。与此同时,Ca和Na原子处于八面体结构之间的空隙(cavities),并与该空隙中的氧原子配位(oxygencoordinated)。该配位结构(Ca、Na、O)优先(preference)占据(share,共同占据)板状结构的内侧空间(sites inside the slabs)。而板状结构之间(inter-slab)的空缺则由Ca原子填充(occupied)。
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2楼2017-03-21 06:37:21
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