Materials Data on Rb2CeCl5 by Materials Project
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Rb2CeCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.32–3.53 Å. Ce3+ is bonded to seven Cl1- atoms to form distorted edge-sharing CeCl7 pentagonal bipyramids. There are a spread of Ce–Cl bond distances ranging from 2.79–2.90 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent Rb1+ and one Ce3+ atom to form distorted corner-sharing ClRb4Ce trigonal bipyramids. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one Ce3+ atom. In the third Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one Ce3+ atom. In the fourth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent Ce3+ atoms.
Rb₂CeCl₅ 以正交晶系Pnma空间群（orthorhombic Pnma space group）结晶，其结构为三维框架。Rb⁺ 采取八配位几何（8-coordinate geometry）构型，与8个Cl⁻ 原子成键，Rb–Cl键的键长分布范围为3.32~3.53 Å。Ce³+ 与7个Cl⁻ 原子成键，形成畸变的共享棱边CeCl₇五角双锥（distorted edge-sharing CeCl7 pentagonal bipyramids）结构，Ce–Cl键的键长分布范围为2.79~2.90 Å。体系中存在4种不等价的Cl⁻ 位点：在第一种Cl⁻ 位点中，Cl⁻ 与4个等价的Rb⁺ 及1个Ce³+ 原子成键，形成畸变的共享顶角ClRb₄Ce三角双锥（distorted corner-sharing ClRb4Ce trigonal bipyramids）结构；在第二种Cl⁻ 位点中，Cl⁻ 采取五配位几何（5-coordinate geometry）构型，与4个等价的Rb⁺ 及1个Ce³+ 原子成键；在第三种Cl⁻ 位点中，Cl⁻ 采取五配位几何构型，与4个等价的Rb⁺ 及1个Ce³+ 原子成键；在第四种Cl⁻ 位点中，Cl⁻ 采取四配位几何（4-coordinate geometry）构型，与2个等价的Rb⁺ 及2个等价的Ce³+ 原子成键。
