Materials Data on WCl2 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/1752927/
下载链接
链接失效反馈官方服务：
资源简介：
WCl2 crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two WCl2 sheets oriented in the (0, 1, 0) direction. there are two inequivalent W2+ sites. In the first W2+ site, W2+ is bonded to five Cl1- atoms to form edge-sharing WCl5 square pyramids. There are one shorter (2.40 Å) and four longer (2.51 Å) W–Cl bond lengths. In the second W2+ site, W2+ is bonded to five Cl1- atoms to form a mixture of corner and edge-sharing WCl5 square pyramids. There are four shorter (2.51 Å) and one longer (2.54 Å) W–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to two equivalent W2+ atoms. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three W2+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one W2+ atom. In the fourth Cl1- site, Cl1- is bonded in a 12-coordinate geometry to three W2+ atoms.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2020-12-30
