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具有 Zr2Fe12P7 型结构的锕系过渡金属磷化物 An2T12P7（An = Th，U；T = Fe，Co，Ni）和砷化物 An2T12As7（An = Th，U；T = Co，Ni）。

Actinoid transition metal phosphides An2T12P7 (An = Th, U; T = Fe, Co, Ni) and arsenides An2T12As7 (An = Th, U; T = Co, Ni) with Zr2Fe12P7 type structure.

机构信息

Institut für Anorganische und Analytische Chemie, Universität Münster, Correns-Strasse 30, D-48149, Münster, Germany.

出版信息

Dalton Trans. 2010 Jul 14;39(26):6067-73. doi: 10.1039/c000365d. Epub 2010 May 5.

DOI:10.1039/c000365d
PMID:20445926
Abstract

The preparation and the lattice parameters for the ten title compounds with Zr(2)Fe(12)P(7) type structure are reported; six of them for the first time. The crystal structures of the phosphides Th(2)Fe(12)P(7) (a = 917.3(1) pm, c = 372.2(1) pm), U(2)Fe(12)P(7) (a = 908.7(2) pm, c = 364.1(1) pm) and U(2)Ni(12)As(7) (a = 935.9(1) pm, c = 383.5(1) pm) were refined in the space group P6 (Nr. 174), where all atomic positions are fully occupied. In contrast, the structure refinements of the phosphides Th(2)Co(12)P(7) (a = 912.8(1) pm, c = 370.5(2) pm) and U(2)Co(12)P(7) (a = 904.3(1) pm, c = 363.9(1) pm) were carried out in the space group P6(3)/m (Nr. 176), where the phosphorus atoms on the hexagonal axis are found on a Wyckoff site with a multiplicity of two but with an occupancy of one half. The discussion centres on this space group ambiguity in these and related structures. The near-neighbour environments of all compounds with Zr(2)Fe(12)P(7) type structure correspond to space group P6.

摘要

报道了具有 Zr2Fe12P7 型结构的十个标题化合物的制备和晶格参数；其中有六个是首次报道。磷化物 Th2Fe12P7（a = 917.3（1）pm，c = 372.2（1）pm）、U2Fe12P7（a = 908.7（2）pm，c = 364.1（1）pm）和 U2Ni12As7（a = 935.9（1）pm，c = 383.5（1）pm）的晶体结构在空间群 P6（Nr. 174）中进行了精修，其中所有原子位置均完全占据。相比之下，磷化物 Th2Co12P7（a = 912.8（1）pm，c = 370.5（2）pm）和 U2Co12P7（a = 904.3（1）pm，c = 363.9（1）pm）的结构精修在空间群 P6（3）/m（Nr. 176）中进行，其中六方轴上的磷原子占据具有两倍多重性但占据一半的位置。讨论集中在这个空间群在这些和相关结构中的歧义。所有具有 Zr2Fe12P7 型结构的化合物的近邻环境都对应于空间群 P6。

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