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V18P9C2: a complex phosphide carbide

机译:V18P9C2:复杂的碳化磷

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摘要

V18P9C2 crystallizes in the orthorhombic space group Pmma with the lattice parameters a = 17.044(3), b = 3.2219(7), and c = 13.030(2) angstrom, Z = 2. The crystal structure is composed of 19 symmetry-independent atoms. The crystal structure is considered as a network formed by the transition metal atoms exhibiting cubic, trigonal prismatic, and octahedral voids centered by V, P, and C atoms, respectively. Vice versa, the V and P atoms form a three-dimensional network. The two CV6 octahedra are edge-and corner-connected to chains running parallel to [010]. The five unique P atoms are trigonal prismatically coordinated by V atoms with one to three faces capped again by a V atom. The V atoms have mainly cubic environments formed solely by V or by V and P atoms. V18P9C2 exhibits some structural relations to other compounds of the ternary system V-P-C as well as to other intermetallic phases. Despite the low carbon content, V18P9C2 is considered as a ternary compound rather than an interstitially stabilized (binary) phosphide in view of its special structural features.
机译:V18P9C2在正交晶空间群Pmma中结晶,晶格参数为a = 17.044(3),b = 3.2219(7)和c = 13.030(2)埃,Z =2。晶体结构由19个独立于对称的原子组成。晶体结构被认为是由过渡金属原子形成的网络,这些过渡金属原子分别以V,P和C原子为中心呈现立方,三棱柱形和八面体空隙。反之亦然,V和P原子形成三维网络。两个CV6八面体边缘连接到与[010]平行的链上。五个独特的P原子与V原子呈三棱柱形配向,其中一到三个面再次被V原子覆盖。 V原子主要具有仅由V或由V和P原子形成的立方环境。 V18P9C2与三元体系V-P-C的其他化合物以及其他金属间相具有某些结构关系。尽管碳含量低,但鉴于其特殊的结构特征,V18P9C2被认为是三元化合物,而不是间隙稳定的(二元)磷化物。

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