NaCl/KCl Flux Single Crystal Growth and Crystal Structure of the New Quaternary Mixed-Metal Pnictide: BaCuZn₃As₃

Synthesis and crystal structure of a new compound, BaCuZn3As3, are reported. Single crystals of BaCuZn3As3 are synthesized via NaCl/KCl flux reaction in a sealed fused silica ampule. Its elemental composition has been determined to be Ba/Cu/Zn/As = 1.03(4):1(0):2.91(6):2.98(3), suggesting BaCuZn3As3 as the chemical formula. The structure of BaCuZn3As3 has been determined by X-ray diffraction. It crystallizes in the orthorhombic Cmcm space group with a = 4.2277(3) Å, b = 12.970(1) Å, and c = 12.011(1) Å at T = 90.7 K, and it exhibits a columnar structure along the a-axis. This structure is isotypic to β-BaCu4S3 but highly distorted. β-BaCu4S3 is considered to be a layered structure whereas BaCuZn3As3 is a three-dimensional network.