Materials Data on Lu2ReC2 by Materials Project

Lu2ReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded to five C atoms to form a mixture of corner and edge-sharing LuC5 square pyramids. There are a spread of Lu–C bond distances ranging from 2.45–2.53 Å. In the second Lu site, Lu is bonded in a distorted rectangular see-saw-like geometry to four C atoms. There are a spread of Lu–C bond distances ranging from 2.47–2.55 Å. Re is bonded in a distorted trigonal planar geometry to three C atoms. There are a spread of Re–C bond distances ranging from 1.94–2.03 Å. There are two inequivalent C sites. In the first C site, C is bonded to four Lu and two equivalent Re atoms to form a mixture of corner and edge-sharing CLu4Re2 octahedra. The corner-sharing octahedra tilt angles range from 10–37°. In the second C site, C is bonded to five Lu and one Re atom to form a mixture of corner and edge-sharing CLu5Re octahedra. The corner-sharing octahedra tilt angles range from 2–37°.

Lu₂ReC₂结晶于正交晶系（Orthorhombic）Pnma空间群，其结构为三维框架。体系中存在两个不等价的镥（Lu）位点。在第一个镥位点中，镥与五个碳原子配位，形成兼具角共享与边共享特征的LuC₅四方锥配位多面体，Lu–C键的键长分布范围为2.45~2.53 Å。在第二个镥位点中，镥以畸变的矩形跷跷板型配位几何与四个碳原子配位，Lu–C键长分布范围为2.47~2.55 Å。铼（Re）以畸变平面三角形配位几何与三个碳原子配位，Re–C键长分布范围为1.94~2.03 Å。体系中存在两个不等价的碳（C）位点。在第一个碳位点中，碳与四个镥原子及两个等价的铼原子配位，形成兼具角共享与边共享特征的CLu₄Re₂八面体配位多面体，此类八面体的倾斜角范围为10°~37°。在第二个碳位点中，碳与五个镥原子及一个铼原子配位，形成兼具角共享与边共享特征的CLu₅Re八面体配位多面体，此类八面体的倾斜角范围为2°~37°。