U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CeCoSb3 by Materials Project
Abstract
CeCoSb3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 9-coordinate geometry to nine Sb+1.67- atoms. There are a spread of Ce–Sb bond distances ranging from 3.18–3.31 Å. In the second Ce3+ site, Ce3+ is bonded in a 9-coordinate geometry to nine Sb+1.67- atoms. There are a spread of Ce–Sb bond distances ranging from 3.20–3.41 Å. Co2+ is bonded to six Sb+1.67- atoms to form a mixture of face, edge, and corner-sharing CoSb6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of Co–Sb bond distances ranging from 2.58–2.66 Å. There are five inequivalent Sb+1.67- sites. In the first Sb+1.67- site, Sb+1.67- is bonded in a 5-coordinate geometry to one Ce3+, four equivalent Co2+, and one Sb+1.67- atom. The Sb–Sb bond length is 3.15 Å. In the second Sb+1.67- site, Sb+1.67- is bonded in a 7-coordinate geometry to four Ce3+, two equivalent Co2+, and one Sb+1.67- atom. In the third Sb+1.67- site, Sb+1.67- is bonded in a 6-coordinate geometry to four Ce3+ and two equivalent Co2+ atoms. In the fourth Sb+1.67- site, Sb+1.67- is bonded in a 8-coordinate geometrymore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-568089
- 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; CeCoSb3; Ce-Co-Sb
- OSTI Identifier:
- 1274242
- DOI:
- https://doi.org/10.17188/1274242
Citation Formats
The Materials Project. Materials Data on CeCoSb3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1274242.
The Materials Project. Materials Data on CeCoSb3 by Materials Project. United States. doi:https://doi.org/10.17188/1274242
The Materials Project. 2020.
"Materials Data on CeCoSb3 by Materials Project". United States. doi:https://doi.org/10.17188/1274242. https://www.osti.gov/servlets/purl/1274242. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1274242,
title = {Materials Data on CeCoSb3 by Materials Project},
author = {The Materials Project},
abstractNote = {CeCoSb3 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 9-coordinate geometry to nine Sb+1.67- atoms. There are a spread of Ce–Sb bond distances ranging from 3.18–3.31 Å. In the second Ce3+ site, Ce3+ is bonded in a 9-coordinate geometry to nine Sb+1.67- atoms. There are a spread of Ce–Sb bond distances ranging from 3.20–3.41 Å. Co2+ is bonded to six Sb+1.67- atoms to form a mixture of face, edge, and corner-sharing CoSb6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are a spread of Co–Sb bond distances ranging from 2.58–2.66 Å. There are five inequivalent Sb+1.67- sites. In the first Sb+1.67- site, Sb+1.67- is bonded in a 5-coordinate geometry to one Ce3+, four equivalent Co2+, and one Sb+1.67- atom. The Sb–Sb bond length is 3.15 Å. In the second Sb+1.67- site, Sb+1.67- is bonded in a 7-coordinate geometry to four Ce3+, two equivalent Co2+, and one Sb+1.67- atom. In the third Sb+1.67- site, Sb+1.67- is bonded in a 6-coordinate geometry to four Ce3+ and two equivalent Co2+ atoms. In the fourth Sb+1.67- site, Sb+1.67- is bonded in a 8-coordinate geometry to four Ce3+ and four equivalent Sb+1.67- atoms. There are a spread of Sb–Sb bond distances ranging from 3.03–3.10 Å. In the fifth Sb+1.67- site, Sb+1.67- is bonded in a 5-coordinate geometry to one Ce3+ and four equivalent Co2+ atoms.},
doi = {10.17188/1274242},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}