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首页> 外文期刊>Chemistry: A European journal >Structure-Composition Relations for the Partly Disordered Hume-Rothery Phase Ir_(7+7delta)Zn_(97_11delta) (0.31<=delta<=0.58)
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Structure-Composition Relations for the Partly Disordered Hume-Rothery Phase Ir_(7+7delta)Zn_(97_11delta) (0.31<=delta<=0.58)

机译：部分无序休ume-铁磁相Ir_（7 + 7delta）Zn_（97_11delta）（0.31 <= delta <= 0.58）的结构组成关系

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摘要

The crystal structure,its variation within the homogeneity range and some physical properties of the new zinc-rich,partly disordered phase Ir_(7+7delta)Zn_(97-11delta) (0.31<=delta<=0.58) are reported.The structures of three phases with distinct composition were determined by means of single crystal X-ray diffraction.Ir_(7+7delta)Zn_(97-11delta) exhibits a significant homogeneity range,adopts a complex gamma-brass related cubic structure (cF403-406),is stable up to 1201(2) K,and transforms sluggishly below 1048(4) K into a phase with 394 atoms in the monoclinic primitive unit cell.It is a diamagnetic,moderate metallic conductor.Six distinguishable clusters consisting of 22-29 atoms comprise the structure.The clusters are situated about the 16 high symmetry points of the cubic F lattice.The structure can be subdivided into two partial structures,one with constant composition IrZn_5 and 192 atoms per unit cell and a second being significantly richer in zinc with variable composition and 211-214 atoms per unit cell.The meandering triply periodic minimal surface of two interpenetrating diamond-like nets separates the compositionally variable from its complementary invariant part.The phase width is coupled with substi-tutional and positional disorder.A comprehensive analysis of composition-dependent site occupancy factors reveals a linear correlation between the various types of disorder which can be conclusively interpreted in terms of an incoherent intergrowth of distinctive partial structures in variable proportions on a length scale comparable to the size of the approximately 2 nm large unit cell.On the basis of the structural findings we derive the structure chemically meaningful formula Ir_(7+7delta)Zn_(97-11delta) which quantitatively accounts for the interrelation between substitutional and positional disorder and provides a measure for the homogeneity range in structural terms.
机译：报道了新的富锌，部分无序相Ir_（7 + 7delta）Zn_（97-11delta）（0.31 <= delta <= 0.58）的晶体结构，在均质范围内的变化以及一些物理性质。单晶X射线衍射确定了具有不同组成的三个相.Ir_（7 +7δ）Zn_（97-11delta）表现出显着的均匀性范围，采用了复杂的与γ-黄铜相关的立方结构（cF403-406）在单斜原始晶胞中稳定到1201（2）K，并缓慢地低于1048（4）K转变为具有394个原子的相。它是一种抗磁，适度的金属导体。由22-29个组成的六个可区分簇原子团构成该结构。簇位于立方F晶格的16个高对称点附近。该结构可细分为两个部分结构，一个具有恒定的IrZn_5组成，每个晶胞具有192个原子，第二个具有明显丰富的锌具有可变的成分和每单位晶格211-214个原子。两个相互贯穿的菱形网的蜿蜒的周期性周期性最小表面将成分变量与其互补的不变部分分开。相宽度与结构和位置无序有关。依赖的位点占用因子揭示了各种类型疾病之间的线性相关性，这可以根据与大约2 nm大单位细胞大小相当的长度比例以可变比例的独特部分结构的不连贯共生来得出结论。根据结构发现，我们得出了结构上具有化学意义的化学式Ir_（7 + 7deltaZnZn_（97-11delta），该化学式定量说明了置换和位置无序之间的相互关系，并提供了结构上同质性范围的度量。

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