Materials Data on Gd2Cl3 by Materials Project

Gd2Cl3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Gd sites. In the first Gd site, Gd is bonded in a distorted pentagonal planar geometry to five Cl atoms. There are a spread of Gd–Cl bond distances ranging from 2.70–2.87 Å. In the second Gd site, Gd is bonded in a distorted pentagonal planar geometry to five Cl atoms. There are a spread of Gd–Cl bond distances ranging from 2.70–2.91 Å. In the third Gd site, Gd is bonded in a 5-coordinate geometry to five Cl atoms. There are a spread of Gd–Cl bond distances ranging from 2.78–3.09 Å. In the fourth Gd site, Gd is bonded in a 5-coordinate geometry to five Cl atoms. There are a spread of Gd–Cl bond distances ranging from 2.76–3.13 Å. There are six inequivalent Cl sites. In the first Cl site, Cl is bonded in a distorted T-shaped geometry to three Gd atoms. In the second Cl site, Cl is bonded in a distorted T-shaped geometry to three Gd atoms. In the third Cl site, Cl is bonded in a trigonal non-coplanar geometry to three Gd atoms. In the fourth Cl site, Cl is bonded in a distorted trigonal non-coplanar geometry to three Gd atoms. In the fifth Cl site, Cl is bonded in a rectangular see-saw-like geometry to four Gd atoms. In the sixth Cl site, Cl is bonded in a rectangular see-saw-like geometry to four Gd atoms.

三氯化二钆（Gd₂Cl₃）结晶于三斜晶系P1空间群，其晶体结构为三维框架结构。体系中存在四个不等价的钆（Gd）配位位点。在第一个钆位点中，钆原子以畸变五角平面配位几何构型与五个氯（Cl）原子成键，Gd–Cl键长分布范围为2.70~2.87 Å。在第二个钆位点中，钆原子同样以畸变五角平面配位几何构型与五个氯原子成键，Gd–Cl键长分布范围为2.70~2.91 Å。在第三个钆位点中，钆原子采取五配位构型与五个氯原子成键，Gd–Cl键长分布范围为2.78~3.09 Å。在第四个钆位点中，钆原子采取五配位构型与五个氯原子成键，Gd–Cl键长分布范围为2.76~3.13 Å。体系中同时存在六个不等价的氯（Cl）配位位点。在第一个氯位点中，氯原子以畸变T型配位几何构型与三个钆原子成键；第二个氯位点的配位环境与第一个完全一致。在第三个氯位点中，氯原子以三角非共面配位几何构型与三个钆原子成键；第四个氯位点以畸变三角非共面配位几何构型与三个钆原子成键。在第五个氯位点中，氯原子以矩形跷跷板型配位几何构型与四个钆原子成键；第六个氯位点的配位环境与第五个完全一致。