U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nd3Sc by Materials Project
Abstract
Nd3Sc is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded to eight equivalent Nd and four equivalent Sc atoms to form NdNd8Sc4 cuboctahedra that share corners with four equivalent ScNd12 cuboctahedra, corners with fourteen equivalent NdNd8Sc4 cuboctahedra, edges with six equivalent ScNd12 cuboctahedra, edges with twelve equivalent NdNd8Sc4 cuboctahedra, faces with four equivalent ScNd12 cuboctahedra, and faces with sixteen equivalent NdNd8Sc4 cuboctahedra. There are a spread of Nd–Nd bond distances ranging from 3.52–3.69 Å. There are two shorter (3.55 Å) and two longer (3.61 Å) Nd–Sc bond lengths. Sc is bonded to twelve equivalent Nd atoms to form ScNd12 cuboctahedra that share corners with six equivalent ScNd12 cuboctahedra, corners with twelve equivalent NdNd8Sc4 cuboctahedra, edges with eighteen equivalent NdNd8Sc4 cuboctahedra, faces with eight equivalent ScNd12 cuboctahedra, and faces with twelve equivalent NdNd8Sc4 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-1186283
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Nd-Sc; Nd3Sc; crystal structure
- OSTI Identifier:
- 1738093
- DOI:
- https://doi.org/10.17188/1738093
Citation Formats
Materials Data on Nd3Sc by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738093.
Materials Data on Nd3Sc by Materials Project. United States. doi:https://doi.org/10.17188/1738093
2020.
"Materials Data on Nd3Sc by Materials Project". United States. doi:https://doi.org/10.17188/1738093. https://www.osti.gov/servlets/purl/1738093. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1738093,
title = {Materials Data on Nd3Sc by Materials Project},
abstractNote = {Nd3Sc is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded to eight equivalent Nd and four equivalent Sc atoms to form NdNd8Sc4 cuboctahedra that share corners with four equivalent ScNd12 cuboctahedra, corners with fourteen equivalent NdNd8Sc4 cuboctahedra, edges with six equivalent ScNd12 cuboctahedra, edges with twelve equivalent NdNd8Sc4 cuboctahedra, faces with four equivalent ScNd12 cuboctahedra, and faces with sixteen equivalent NdNd8Sc4 cuboctahedra. There are a spread of Nd–Nd bond distances ranging from 3.52–3.69 Å. There are two shorter (3.55 Å) and two longer (3.61 Å) Nd–Sc bond lengths. Sc is bonded to twelve equivalent Nd atoms to form ScNd12 cuboctahedra that share corners with six equivalent ScNd12 cuboctahedra, corners with twelve equivalent NdNd8Sc4 cuboctahedra, edges with eighteen equivalent NdNd8Sc4 cuboctahedra, faces with eight equivalent ScNd12 cuboctahedra, and faces with twelve equivalent NdNd8Sc4 cuboctahedra.},
doi = {10.17188/1738093},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}