Materials Data on K3Dy by Materials Project

K3Dy is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded to eight equivalent K and four equivalent Dy atoms to form distorted KK8Dy4 cuboctahedra that share corners with four equivalent DyK12 cuboctahedra, corners with fourteen equivalent KK8Dy4 cuboctahedra, edges with six equivalent DyK12 cuboctahedra, edges with twelve equivalent KK8Dy4 cuboctahedra, faces with four equivalent DyK12 cuboctahedra, and faces with sixteen equivalent KK8Dy4 cuboctahedra. There are a spread of K–K bond distances ranging from 4.19–4.42 Å. There are two shorter (4.29 Å) and two longer (4.30 Å) K–Dy bond lengths. Dy is bonded to twelve equivalent K atoms to form DyK12 cuboctahedra that share corners with six equivalent DyK12 cuboctahedra, corners with twelve equivalent KK8Dy4 cuboctahedra, edges with eighteen equivalent KK8Dy4 cuboctahedra, faces with eight equivalent DyK12 cuboctahedra, and faces with twelve equivalent KK8Dy4 cuboctahedra.

K3Dy具有类β-Cu3Ti结构，结晶于六方晶系P6₃/mmc空间群，其结构为三维结构。K原子与8个等价K原子及4个等价Dy原子键合，形成扭曲的KK₈Dy₄立方八面体；这些立方八面体与4个等价DyK₁₂立方八面体共享顶点、与14个等价KK₈Dy₄立方八面体共享顶点，与6个等价DyK₁₂立方八面体共享边、与12个等价KK₈Dy₄立方八面体共享边，与4个等价DyK₁₂立方八面体共享面、与16个等价KK₈Dy₄立方八面体共享面。K-K键长范围为4.19–4.42 Å；K-Dy键长存在两种：较短者为4.29 Å（共2个），较长者为4.30 Å（共2个）。Dy原子与12个等价K原子键合，形成DyK₁₂立方八面体；这些立方八面体与6个等价DyK₁₂立方八面体共享顶点、与12个等价KK₈Dy₄立方八面体共享顶点，与18个等价KK₈Dy₄立方八面体共享边，与8个等价DyK₁₂立方八面体共享面、与12个等价KK₈Dy₄立方八面体共享面。