DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on ScCd3 by Materials Project

Abstract

ScCd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Cd atoms to form ScCd12 cuboctahedra that share corners with six equivalent ScCd12 cuboctahedra, corners with twelve equivalent CdSc4Cd8 cuboctahedra, edges with eighteen equivalent CdSc4Cd8 cuboctahedra, faces with eight equivalent ScCd12 cuboctahedra, and faces with twelve equivalent CdSc4Cd8 cuboctahedra. There are six shorter (3.07 Å) and six longer (3.20 Å) Sc–Cd bond lengths. Cd is bonded to four equivalent Sc and eight equivalent Cd atoms to form distorted CdSc4Cd8 cuboctahedra that share corners with four equivalent ScCd12 cuboctahedra, corners with fourteen equivalent CdSc4Cd8 cuboctahedra, edges with six equivalent ScCd12 cuboctahedra, edges with twelve equivalent CdSc4Cd8 cuboctahedra, faces with four equivalent ScCd12 cuboctahedra, and faces with sixteen equivalent CdSc4Cd8 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.07–3.21 Å.

Authors:
Publication Date:
Other Number(s):
mp-30494
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; ScCd3; Cd-Sc
OSTI Identifier:
1204898
DOI:
https://doi.org/10.17188/1204898

Citation Formats

The Materials Project. Materials Data on ScCd3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204898.
The Materials Project. Materials Data on ScCd3 by Materials Project. United States. doi:https://doi.org/10.17188/1204898
The Materials Project. 2020. "Materials Data on ScCd3 by Materials Project". United States. doi:https://doi.org/10.17188/1204898. https://www.osti.gov/servlets/purl/1204898. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1204898,
title = {Materials Data on ScCd3 by Materials Project},
author = {The Materials Project},
abstractNote = {ScCd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Cd atoms to form ScCd12 cuboctahedra that share corners with six equivalent ScCd12 cuboctahedra, corners with twelve equivalent CdSc4Cd8 cuboctahedra, edges with eighteen equivalent CdSc4Cd8 cuboctahedra, faces with eight equivalent ScCd12 cuboctahedra, and faces with twelve equivalent CdSc4Cd8 cuboctahedra. There are six shorter (3.07 Å) and six longer (3.20 Å) Sc–Cd bond lengths. Cd is bonded to four equivalent Sc and eight equivalent Cd atoms to form distorted CdSc4Cd8 cuboctahedra that share corners with four equivalent ScCd12 cuboctahedra, corners with fourteen equivalent CdSc4Cd8 cuboctahedra, edges with six equivalent ScCd12 cuboctahedra, edges with twelve equivalent CdSc4Cd8 cuboctahedra, faces with four equivalent ScCd12 cuboctahedra, and faces with sixteen equivalent CdSc4Cd8 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 3.07–3.21 Å.},
doi = {10.17188/1204898},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}