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.