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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. |

專家顧問 (著名寫手)
崇德瀹智
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專家經(jīng)驗: +528 |
| NaCa4Nb5O17 的晶體結(jié)構(gòu)中含有鈣鈦礦類的板狀結(jié)構(gòu)(perovskite slabs,分子通式為ABO3的“113結(jié)構(gòu)”)。該(晶胞)結(jié)構(gòu)中含有5個沿y軸連續(xù)堆疊(consecutive……stacked)的共角(cornersharing,角與角相連)NbO6八面體結(jié)構(gòu)。在這些Nb原子當中,有兩個Nb原子(處于板狀結(jié)構(gòu)中央)位于晶體的兩個對稱中心(這里應(yīng)該是inversion center,而不是 inversion centres)。與此同時,Ca和Na原子處于八面體結(jié)構(gòu)之間的空隙(cavities),并與該空隙中的氧原子配位(oxygencoordinated)。該配位結(jié)構(gòu)(Ca、Na、O)優(yōu)先(preference)占據(jù)(share,共同占據(jù))板狀結(jié)構(gòu)的內(nèi)側(cè)空間(sites inside the slabs)。而板狀結(jié)構(gòu)之間(inter-slab)的空缺則由Ca原子填充(occupied)。 |

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