Crystal structure of KCuZrSe3 and solid state synthesis at intermediate temperature

KCuZrSe3 has been synthesized by the reactive nux method and structurally c haracterized by single-crystal X-ray diffraction. The crystal data: KCuZrSe 3, orthorhombic, Cmcm, Z = 4, a = 0.3883 (7) nm, b = 1.4447 (2) nm, c = 1.0 186 (3) nm, V = 0.5715 (2) nm(3), D-c = 5006 mg.nm(-3), M-r = 430.74, F(000 ) = 760, mu = 25.217 mm(-1), lambda(Mo K alpha) = 0.07107 nm, R[F-2 > 2 sig ma(F-2)] = 0.0471. The crystal is bult by [CuZrSe3](-) layers separated by K+ cations. In the [CuZrSe3](-) layer, Zr4+ and Cu+ are respectively eight- four-coordinated to Se2-. K+ cations are coordinated by eight Se2- in an an titetragonal prismitic arrangment. The crystal is a thermodynamically stabl e phase. It is possible to synthsize the thermodynamically stable phase by reative flux reaction at intermetiate temperature.