Crystal structure of a silver-, cobalt- and iron-based phosphate with an alluaudite-like structure: Ag1.655Co1.64Fe1.36(PO4)3

Bouraima A.; Makani T.; Assani A.; Saadi M.; El Ammari L.

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Crystal structure of a silver-, cobalt- and iron-based phosphate with an alluaudite-like structure: Ag1.655Co1.64Fe1.36(PO4)3

机译：银，钴和铁基磷酸盐的晶体结构，具有类钙铝石结构：Ag1.655Co1.64Fe1.36（PO4）3

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The new silver-, cobalt- and iron-based phosphate, silver cobalt iron tris(ortho-phosphate), Ag1.655Co1.64Fe1.36(PO4)3, was synthesized by solid-state reactions. Its structure is isotypic to that of Na2Co2Fe(PO4)3, and belongs to the alluaudite family, with a partial cationic disorder, the AgI atoms being located on an inversion centre and twofold rotation axis sites (Wyckoff positions 4a and 4e), with partial occupancies of 0.885?(2) and 0.7688?(19), respectively. One of the two P atoms in the asymmetric unit completely fills one 4e site while the Co and Fe atoms fill another 4e site, with partial occupancies of 0.86?(5) and 0.14?(5), respectively. The remaining Co2+ and Fe3+ cations are distributed on a general position, 8f, in a 0.39?(4):0.61?(4) ratio. All O atoms and the other P atoms are in general positions. The structure is built up from zigzag chains of edge-sharing [MO6] (M = Fe/Co) octa-hedra stacked parallel to [101]. These chains are linked together through PO4 tetra-hedra, forming polyhedral sheets perpendicular to [010]. The resulting framework displays two types of channels running along [001], in which the AgI atoms (coordination number eight) are located.

机译：通过固态反应合成了新的银，钴和铁基磷酸盐，三（正磷酸盐）银钴铁三（Ag1.655Co1.64Fe1.36（PO4）3）。它的结构与Na2Co2Fe（PO4）3的结构同型，属于变硅钙石族，具有部分阳离子性紊乱，AgI原子位于一个反转中心和两个旋转轴位点（Wyckoff位置4a和4e），部分具有占用分别为0.885？（2）和0.7688？（19）。不对称单元中的两个P原子之一完全填充一个4e位置，而Co和Fe原子填充另一个4e位置，部分占有率分别为0.86？（5）和0.14？（5）。其余的Co2 +和Fe3 +阳离子以0.39？（4）：0.61？（4）的比例分布在一般位置8f上。所有的O原子和其他P原子都位于一般位置。该结构由平行于[101]堆叠的边缘共享[MO6]（M = Fe / Co）八面体的锯齿形链构成。这些链通过PO4四面体连接在一起，形成垂直于[010]的多面体片。生成的框架显示沿[001]的两种类型的通道，其中AgI原子（配位数8）位于其中。

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《Acta Crystallographica Section E: Crystallographic Communications》 |2017年第6期|共3页
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Bouraima A.; Makani T.; Assani A.; Saadi M.; El Ammari L.;
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6. Crystal structure of a silver- cobalt- and iron-based phosphate with an alluaudite-like structure: Ag1.655Co1.64Fe1.36(PO4)3 [O] . Adam Bouraima, Thomas Makani, Abderrazzak Assani, 2017

机译：银钴和铁基磷酸盐的晶体结构具有类钙铝石结构：Ag1.655Co1.64Fe1.36（PO4）3
7. Crystal structure of a silver-, cobalt- and iron-based phosphate with an alluaudite-like structure: Ag1.655Co1.64Fe1.36(PO4)3 [O] . Adam Bouraima, Thomas Makani, Abderrazzak Assani, 2017

机译：具有铝铁矿结构的银，钴和铁基磷酸盐的晶体结构：ag1.655Co1.64Fe1.36（pO4）3
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Crystal structure of a silver-, cobalt- and iron-based phosphate with an alluaudite-like structure: Ag1.655Co1.64Fe1.36(PO4)3

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