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Title: Materials Data on Sc3Cd by Materials Project

Abstract

Sc3Cd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to eight equivalent Sc and four equivalent Cd atoms to form distorted ScSc8Cd4 cuboctahedra that share corners with four equivalent CdSc12 cuboctahedra, corners with fourteen equivalent ScSc8Cd4 cuboctahedra, edges with six equivalent CdSc12 cuboctahedra, edges with twelve equivalent ScSc8Cd4 cuboctahedra, faces with four equivalent CdSc12 cuboctahedra, and faces with sixteen equivalent ScSc8Cd4 cuboctahedra. There are a spread of Sc–Sc bond distances ranging from 3.16–3.25 Å. All Sc–Cd bond lengths are 3.20 Å. Cd is bonded to twelve equivalent Sc atoms to form CdSc12 cuboctahedra that share corners with six equivalent CdSc12 cuboctahedra, corners with twelve equivalent ScSc8Cd4 cuboctahedra, edges with eighteen equivalent ScSc8Cd4 cuboctahedra, faces with eight equivalent CdSc12 cuboctahedra, and faces with twelve equivalent ScSc8Cd4 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-972876
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sc3Cd; Cd-Sc
OSTI Identifier:
1313934
DOI:
https://doi.org/10.17188/1313934

Citation Formats

The Materials Project. Materials Data on Sc3Cd by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1313934.
The Materials Project. Materials Data on Sc3Cd by Materials Project. United States. doi:https://doi.org/10.17188/1313934
The Materials Project. 2020. "Materials Data on Sc3Cd by Materials Project". United States. doi:https://doi.org/10.17188/1313934. https://www.osti.gov/servlets/purl/1313934. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1313934,
title = {Materials Data on Sc3Cd by Materials Project},
author = {The Materials Project},
abstractNote = {Sc3Cd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to eight equivalent Sc and four equivalent Cd atoms to form distorted ScSc8Cd4 cuboctahedra that share corners with four equivalent CdSc12 cuboctahedra, corners with fourteen equivalent ScSc8Cd4 cuboctahedra, edges with six equivalent CdSc12 cuboctahedra, edges with twelve equivalent ScSc8Cd4 cuboctahedra, faces with four equivalent CdSc12 cuboctahedra, and faces with sixteen equivalent ScSc8Cd4 cuboctahedra. There are a spread of Sc–Sc bond distances ranging from 3.16–3.25 Å. All Sc–Cd bond lengths are 3.20 Å. Cd is bonded to twelve equivalent Sc atoms to form CdSc12 cuboctahedra that share corners with six equivalent CdSc12 cuboctahedra, corners with twelve equivalent ScSc8Cd4 cuboctahedra, edges with eighteen equivalent ScSc8Cd4 cuboctahedra, faces with eight equivalent CdSc12 cuboctahedra, and faces with twelve equivalent ScSc8Cd4 cuboctahedra.},
doi = {10.17188/1313934},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}