Materials Data on NbRh3 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/1752306/
下载链接
链接失效反馈官方服务：
资源简介：
Rh3Nb is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded to twelve Rh atoms to form NbRh12 cuboctahedra that share corners with twelve NbRh12 cuboctahedra, edges with eighteen equivalent RhNb4Rh8 cuboctahedra, faces with six equivalent NbRh12 cuboctahedra, and faces with six equivalent RhNb4Rh8 cuboctahedra. All Nb–Rh bond lengths are 2.77 Å. In the second Nb site, Nb is bonded to twelve Rh atoms to form NbRh12 cuboctahedra that share corners with six equivalent RhNb4Rh8 cuboctahedra, corners with nine NbRh12 cuboctahedra, edges with twelve equivalent RhNb4Rh8 cuboctahedra, faces with seven NbRh12 cuboctahedra, and faces with nine equivalent RhNb4Rh8 cuboctahedra. There are a spread of Nb–Rh bond distances ranging from 2.72–2.82 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded to four Nb and eight Rh atoms to form distorted RhNb4Rh8 cuboctahedra that share corners with two equivalent NbRh12 cuboctahedra, corners with ten equivalent RhNb4Rh8 cuboctahedra, edges with seven NbRh12 cuboctahedra, edges with eight equivalent RhNb4Rh8 cuboctahedra, faces with four NbRh12 cuboctahedra, and faces with ten equivalent RhNb4Rh8 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.74–2.78 Å. In the second Rh site, Rh is bonded in a distorted see-saw-like geometry to four Nb and four equivalent Rh atoms.
提供机构：
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
创建时间：
2020-12-30
