标题： 锌(II)异烟酸盐中静态无序和局部结构，一种类石英金属有机框架 显示英文标题

标题： Static disorder and local structure in zinc(II) isonicotinate, a quartzlike metal-organic framework

摘要： 使用中子总散射数据的Rietveld和RMC精修相结合的方法，我们发现锌(II)异烟酸盐在10 K时的结构显示出静态无序的强烈证据。 这种无序表现为异烟酸盐配体的横向位移，并导致原子位移参数延长以及实验G(r)振荡减弱。 我们采用源自几何代数的方法分析RMC构型。 讨论了在孔结构中包含含氢客体分子的相关问题。 本研究突显了结构柔韧性如何导致MOF类材料中出现多个低能基态。 显示英文摘要

摘要： Using a combination of Rietveld and RMC refinement of neutron total scattering data, we find that the 10 K structure of zinc(II) isonicotinate shows strong evidence of static disorder. This disorder takes the form of transverse displacements of the isonicotinate ligand and results in elongated atomic displacement parameters and dampened oscillations of the experimental G(r). We analyse the RMC configurations using an approach derived from geometric algebra. Complications regarding the inclusion of hydrogenous guest molecules within the pore structure are discussed. This study highlights the way in which structural flexibility can give rise to multiple low-energy ground states in MOF-type materials.