Materials Data on K3Er by Materials Project

K3Er 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 Er atoms to form distorted KK8Er4 cuboctahedra that share corners with four equivalent ErK12 cuboctahedra, corners with fourteen equivalent KK8Er4 cuboctahedra, edges with six equivalent ErK12 cuboctahedra, edges with twelve equivalent KK8Er4 cuboctahedra, faces with four equivalent ErK12 cuboctahedra, and faces with sixteen equivalent KK8Er4 cuboctahedra. There are a spread of K–K bond distances ranging from 4.15–4.44 Å. There are two shorter (4.27 Å) and two longer (4.30 Å) K–Er bond lengths. Er is bonded to twelve equivalent K atoms to form ErK12 cuboctahedra that share corners with six equivalent ErK12 cuboctahedra, corners with twelve equivalent KK8Er4 cuboctahedra, edges with eighteen equivalent KK8Er4 cuboctahedra, faces with eight equivalent ErK12 cuboctahedra, and faces with twelve equivalent KK8Er4 cuboctahedra.

K₃Er具有β-Cu₃Ti型结构，结晶于六方晶系P6₃/mmc空间群。该结构为三维结构。K原子与8个等价K原子及4个等价Er原子成键，形成扭曲的KK₈Er₄立方八面体；这些立方八面体与4个等价ErK₁₂立方八面体共用顶点，与14个等价KK₈Er₄立方八面体共用顶点，与6个等价ErK₁₂立方八面体共用边，与12个等价KK₈Er₄立方八面体共用边，与4个等价ErK₁₂立方八面体共用面，还与16个等价KK₈Er₄立方八面体共用面。K–K键距分布在4.15至4.44埃（Angstrom）之间。K–Er键长存在两种：2个较短的键长（4.27埃）和2个较长的键长（4.30埃）。Er原子与12个等价K原子成键，形成ErK₁₂立方八面体；这些立方八面体与6个等价ErK₁₂立方八面体共用顶点，与12个等价KK₈Er₄立方八面体共用顶点，与18个等价KK₈Er₄立方八面体共用边，与8个等价ErK₁₂立方八面体共用面，还与12个等价KK₈Er₄立方八面体共用面。