five

Materials Data on SrLaCl5 by Materials Project

收藏
DataCite Commons2021-02-04 更新2025-04-09 收录
下载链接:
https://www.osti.gov/servlets/purl/1753410/
下载链接
链接失效反馈
官方服务:
资源简介:
SrLaCl5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sr2+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 3.06–3.64 Å. La3+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of La–Cl bond distances ranging from 2.88–2.94 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one Sr2+ and two equivalent La3+ atoms. In the second Cl1- site, Cl1- is bonded to three equivalent Sr2+ and one La3+ atom to form a mixture of distorted corner and edge-sharing ClSr3La tetrahedra. In the third Cl1- site, Cl1- is bonded in a distorted bent 150 degrees geometry to two equivalent Sr2+ and two equivalent La3+ atoms.

五氯化锶镧(SrLaCl5)以单斜晶系C2/c空间群结晶。该晶体为三维骨架结构。Sr²+ 采取十配位构型,与十个Cl¹⁻原子成键。Sr-Cl键的键长分布范围为3.06~3.64埃。La³+ 采取八配位构型,与八个Cl¹⁻原子成键。La-Cl键的键长分布范围为2.88~2.94埃。体系中存在三个不等价的Cl¹⁻位点。在第一个Cl¹⁻位点中,Cl¹⁻以畸变三角非共面构型与1个Sr²+和2个等价的La³+原子成键。在第二个Cl¹⁻位点中,Cl¹⁻与3个等价的Sr²+和1个La³+原子成键,形成兼具畸变角共享与边共享特征的ClSr3La四面体结构基元。在第三个Cl¹⁻位点中,Cl¹⁻以150°畸变弯曲构型与2个等价的Sr²+和2个等价的La³+原子成键。
提供机构:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间:
2020-12-30
5,000+
优质数据集
54 个
任务类型
进入经典数据集
二维码
社区交流群

面向社区/商业的数据集话题

二维码
科研交流群

面向高校/科研机构的开源数据集话题

数据驱动未来

携手共赢发展

商业合作