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γ-Brass type structures with I- and P-cell in the ternary Cu–Zn–In system
Zeitschrift für Kristallographie - Crystalline Materials ( IF 1.2 ) Pub Date : 2020-12-16 , DOI: 10.1515/zkri-2020-0079
Samiran Misra 1 , Souvik Giri 1 , Partha P. Jana 1
Affiliation  

Abstract γ-Brass type phases in Cu–Zn–In ternary system were synthesized from the highly pure elements by conventional solid-state synthesis and characterized by X-ray diffraction and EDX analysis. Diffraction analysis confirmed the existence of cubic γ-brass type phases with I- and P-cell having a significant homogeneity range in the ternary Cu–Zn–In system. The phase homogeneity is connected with structural disorder based on mixed site occupancies. Site specific In substitution was observed during single-crystal structure analysis. The γ-brass structures with body-centered cubic lattice (I 4 ‾ $‾{4}$ 3m) are viewed as 26-atom γ-clusters. Like Cu5Zn8, the inner tetrahedron (IT), outer tetrahedron (OT) and octahedron (OH) sites in the 26-atom clusters of γ-brass structures with I-cell are occupied by Zn, Cu, Cu, respectively. Indium substitution is restricted to the cuboctahedral (CO) site and the CO site is assumed to be mixed with In, Cu and Zn throughout the homogeneity range. The structures of cubic γ-brass type (P 4 ‾ $‾{4}$ 3m) phases with P-cell are built up with two independent 26‐atom γ‐clusters and centered at the special positions A (0, 0, 0) and B (½, ½, ½) of the unit cell. According to the single‐crystal X‐ray analyses, In substitutions are largely restricted to the cuboctahedral sited B clusters. In the cubic γ-phases with P-cell, site occupancy pattern of cluster positioned at A is similar to the γ-cluster in Cu5Zn8, whereas cluster B bears a close resemblance to Cu-poor γ-cluster (Cu14In12) of Cu9In4 (P 4 ‾ $‾{4}$ 3m). The vec values for cubic γ-brass type phases in the Cu–Zn–In ternary system ranges between 1.57 and 1.64.

中文翻译:

在三元 Cu-Zn-In 系统中具有 I 和 P 电池的 γ-黄铜型结构

摘要 Cu-Zn-In 三元体系中的γ-黄铜型相是由高纯元素通过常规固态合成合成的,并通过X 射线衍射和EDX 分析表征。衍射分析证实了立方 γ-黄铜型相的存在,其中 I 和 P 电池在三元 Cu-Zn-In 系统中具有显着的均匀性范围。相位均匀性与基于混合场地占用的结构无序有关。在单晶结构分析期间观察到位点特异性 In 取代。具有体心立方晶格 (I 4 ‾ $‾{4}$ 3m) 的 γ 黄铜结构被视为 26 个原子的 γ 簇。与 Cu5Zn8 一样,具有 I 晶胞的 γ 黄铜结构的 26 原子簇中的内四面体(IT)、外四面体(OT)和八面体(OH)位分别被 Zn、Cu、Cu 占据。铟取代仅限于立方八面体 (CO) 位点,并且假设 CO 位点在整个均质范围内与 In、Cu 和 Zn 混合。立方 γ-黄铜型 (P 4 ‾ $‾{4}$ 3m) 相的结构由两个独立的 26 原子 γ 簇构成,并以特殊位置 A (0, 0, 0 ) 和 B (½, ½, ½) 的晶胞。根据单晶 X 射线分析,In 取代主要限于位于立方八面体的 B 簇。在具有 P 细胞的立方 γ 相中,位于 A 的簇的位点占据模式与 Cu5Zn8 中的 γ 簇相似,而簇 B 与 Cu9In4 (P 4 ‾ $‾{4}$ 3m)。Cu-Zn-In 三元体系中立方 γ-黄铜型相的 vec 值介于 1.57 和 1.64 之间。
更新日期:2020-12-16
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