five

Materials Data on LaU3 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/1752936/
下载链接
链接失效反馈
官方服务:
资源简介:
U3La crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent U sites. In the first U site, U is bonded to eight U and four equivalent La atoms to form distorted ULa4U8 cuboctahedra that share corners with four equivalent LaU12 cuboctahedra, corners with fourteen ULa4U8 cuboctahedra, edges with six equivalent LaU12 cuboctahedra, edges with twelve ULa4U8 cuboctahedra, faces with four equivalent LaU12 cuboctahedra, and faces with sixteen ULa4U8 cuboctahedra. There are a spread of U–U bond distances ranging from 2.86–3.44 Å. There are two shorter (3.16 Å) and two longer (3.40 Å) U–La bond lengths. In the second U site, U is bonded to eight equivalent U and four equivalent La atoms to form distorted ULa4U8 cuboctahedra that share corners with four equivalent LaU12 cuboctahedra, corners with fourteen ULa4U8 cuboctahedra, edges with six equivalent LaU12 cuboctahedra, edges with twelve equivalent ULa4U8 cuboctahedra, faces with four equivalent LaU12 cuboctahedra, and faces with sixteen ULa4U8 cuboctahedra. There are two shorter (3.16 Å) and two longer (3.40 Å) U–La bond lengths. In the third U site, U is bonded to eight equivalent U and four equivalent La atoms to form distorted ULa4U8 cuboctahedra that share corners with four equivalent LaU12 cuboctahedra, corners with fourteen ULa4U8 cuboctahedra, edges with six equivalent LaU12 cuboctahedra, edges with twelve equivalent ULa4U8 cuboctahedra, faces with four equivalent LaU12 cuboctahedra, and faces with sixteen ULa4U8 cuboctahedra. There are two shorter (3.16 Å) and two longer (3.40 Å) U–La bond lengths. La is bonded to twelve U atoms to form LaU12 cuboctahedra that share corners with six equivalent LaU12 cuboctahedra, corners with twelve ULa4U8 cuboctahedra, edges with eighteen ULa4U8 cuboctahedra, faces with eight equivalent LaU12 cuboctahedra, and faces with twelve ULa4U8 cuboctahedra.
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