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A new ternary compound CuZnSb was synthesized by high temperature solid state synthesis and characterized by single crystal X-ray diffraction and energy dispersive X-ray analysis. The ternary CuZnSb crystallizes in the tetragonal crystal system with the space group P4/ nmm (129), and its unit cell contains 10 atoms which are distributed over 4 independent crystallographic positions. The structure is built up with [CuSb] slabs that correspond to the unit cells of CuSb and planar 4 nets of Zn atoms. The planar nets of Zn atoms are interspersed between two adjacent [CuSb] slabs. The structure can be viewed as alternating units of CuSb and CsCl type β'-brass (CuZn) structures in the . An unusual atomic ordering of two neighboring transition metals Cu and Zn is observed and is confirmed by first principle calculations. The atomic ordering of Cu and Zn is retained from binary β'-brass structure (CuZn) to ternary CuZnSb. Total energy calculations confirmed the experimental model of Cu/Zn ordering to be the most stable in the structure of CuZnSb. The calculated density of states (DOS) and crystal orbital Hamiltonian population (COHP) explain the stability and bonding characteristics in the structure of CuZnSb. The implication of the persistent Cu/Zn ordering in ternary phases for materials design is emphasized.
This article was published in the following journal.
Name: Inorganic chemistry
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A member of the alkali metals. It has an atomic symbol Cs, atomic number 50, and atomic weight 132.91. Cesium has many industrial applications, including the construction of atomic clocks based on its atomic vibrational frequency.
An element of the alkaline earth family of metals. It has the atomic symbol Sr, atomic number 38, and atomic weight 87.62.
An element of the alkaline earth group of metals. It has an atomic symbol Ba, atomic number 56, and atomic weight 138. All of its acid-soluble salts are poisonous.
Promethium. A radioactive element of the rare earth family of metals. It has the atomic symbol Pm, atomic number 61, and atomic weight 147. It has been used in the construction of atomic batteries, in the preparation of self-luminous compounds, and as a beta-particle source for thickness gauges.
A yellow metallic element with the atomic symbol Au, atomic number 79, and atomic weight 197. It is used in jewelry, goldplating of other metals, as currency, and in dental restoration. Many of its clinical applications, such as ANTIRHEUMATIC AGENTS, are in the form of its salts.
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