Materials Data on Na2LaCuCl6 by Materials Project

(Na)2LaCuCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one LaCuCl6 framework. In the LaCuCl6 framework, La3+ is bonded to six equivalent Cl1- atoms to form LaCl6 octahedra that share corners with six equivalent CuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All La–Cl bond lengths are 2.75 Å. Cu1+ is bonded to six equivalent Cl1- atoms to form CuCl6 octahedra that share corners with six equivalent LaCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cl bond lengths are 2.51 Å. Cl1- is bonded in a linear geometry to one La3+ and one Cu1+ atom.

(Na)₂LaCuCl₆具有高温超导体衍生结构，结晶于立方晶系Fm-3m空间群（space group）。该结构为三维结构，由八个钠分子和一个LaCuCl₆骨架组成。在LaCuCl₆骨架中，La³⁺与六个等价的Cl¹⁻原子键合，形成LaCl₆八面体（octahedra），每个LaCl₆八面体与六个等价的CuCl₆八面体共顶点。共顶点八面体倾斜角（corner-sharing octahedral tilt angles）为0°。所有La–Cl键的键长均为2.75埃（Å）。Cu¹⁺与六个等价的Cl¹⁻原子键合，形成CuCl₆八面体，每个CuCl₆八面体与六个等价的LaCl₆八面体共顶点。共顶点八面体倾斜角为0°。所有Cu–Cl键的键长均为2.51埃。Cl¹⁻以线性几何构型键合，与一个La³⁺和一个Cu¹⁺原子相连。