Title: Materials Data on Sc2CdS4 by Materials Project

Abstract

CdSc2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent S2- atoms to form ScS6 octahedra that share corners with six equivalent CdS4 tetrahedra and edges with six equivalent ScS6 octahedra. All Sc–S bond lengths are 2.60 Å. Cd2+ is bonded to four equivalent S2- atoms to form CdS4 tetrahedra that share corners with twelve equivalent ScS6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Cd–S bond lengths are 2.55 Å. S2- is bonded to three equivalent Sc3+ and one Cd2+ atom to form a mixture of distorted corner and edge-sharing SSc3Cd trigonal pyramids.

Publication Date:
Other Number(s):
mp-10953
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; Cd-S-Sc; crystal structure; Sc2CdS4
OSTI Identifier:
1187478
DOI:
https://doi.org/10.17188/1187478

Citation Formats

Materials Data on Sc2CdS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187478.
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Materials Data on Sc2CdS4 by Materials Project. United States. doi:https://doi.org/10.17188/1187478
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2020. "Materials Data on Sc2CdS4 by Materials Project". United States. doi:https://doi.org/10.17188/1187478. https://www.osti.gov/servlets/purl/1187478. Pub date:Fri Jul 17 20:00:00 EDT 2020
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@article{osti_1187478,
title = {Materials Data on Sc2CdS4 by Materials Project},
abstractNote = {CdSc2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent S2- atoms to form ScS6 octahedra that share corners with six equivalent CdS4 tetrahedra and edges with six equivalent ScS6 octahedra. All Sc–S bond lengths are 2.60 Å. Cd2+ is bonded to four equivalent S2- atoms to form CdS4 tetrahedra that share corners with twelve equivalent ScS6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Cd–S bond lengths are 2.55 Å. S2- is bonded to three equivalent Sc3+ and one Cd2+ atom to form a mixture of distorted corner and edge-sharing SSc3Cd trigonal pyramids.},
doi = {10.17188/1187478},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1187478
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