U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce4Zn3Sb8 by Materials Project
Abstract
Ce4Zn3Sb8 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight Sb+2.25- atoms. There are four shorter (3.28 Å) and four longer (3.33 Å) Ce–Sb bond lengths. In the second Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight Sb+2.25- atoms. There are a spread of Ce–Sb bond distances ranging from 3.26–3.31 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four equivalent Sb+2.25- atoms to form a mixture of edge and corner-sharing ZnSb4 tetrahedra. All Zn–Sb bond lengths are 2.85 Å. In the second Zn2+ site, Zn2+ is bonded to four equivalent Sb+2.25- atoms to form corner-sharing ZnSb4 tetrahedra. All Zn–Sb bond lengths are 2.74 Å. There are four inequivalent Sb+2.25- sites. In the first Sb+2.25- site, Sb+2.25- is bonded in a 8-coordinate geometry to four equivalent Ce3+ and four equivalent Zn2+ atoms. In the second Sb+2.25- site, Sb+2.25- is bonded in a 6-coordinate geometry to four equivalent Ce3+ and two equivalent Zn2+ atoms. In the third Sb+2.25- site, Sb+2.25- is bonded in a 8-coordinate geometry to four Ce3+more »
- Publication Date:
- Other Number(s):
- mp-1226943
- 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; Ce-Sb-Zn; Ce4Zn3Sb8; crystal structure
- OSTI Identifier:
- 1672290
- DOI:
- https://doi.org/10.17188/1672290
Citation Formats
Materials Data on Ce4Zn3Sb8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1672290.
Materials Data on Ce4Zn3Sb8 by Materials Project. United States. doi:https://doi.org/10.17188/1672290
2020.
"Materials Data on Ce4Zn3Sb8 by Materials Project". United States. doi:https://doi.org/10.17188/1672290. https://www.osti.gov/servlets/purl/1672290. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1672290,
title = {Materials Data on Ce4Zn3Sb8 by Materials Project},
abstractNote = {Ce4Zn3Sb8 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight Sb+2.25- atoms. There are four shorter (3.28 Å) and four longer (3.33 Å) Ce–Sb bond lengths. In the second Ce3+ site, Ce3+ is bonded in a 8-coordinate geometry to eight Sb+2.25- atoms. There are a spread of Ce–Sb bond distances ranging from 3.26–3.31 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four equivalent Sb+2.25- atoms to form a mixture of edge and corner-sharing ZnSb4 tetrahedra. All Zn–Sb bond lengths are 2.85 Å. In the second Zn2+ site, Zn2+ is bonded to four equivalent Sb+2.25- atoms to form corner-sharing ZnSb4 tetrahedra. All Zn–Sb bond lengths are 2.74 Å. There are four inequivalent Sb+2.25- sites. In the first Sb+2.25- site, Sb+2.25- is bonded in a 8-coordinate geometry to four equivalent Ce3+ and four equivalent Zn2+ atoms. In the second Sb+2.25- site, Sb+2.25- is bonded in a 6-coordinate geometry to four equivalent Ce3+ and two equivalent Zn2+ atoms. In the third Sb+2.25- site, Sb+2.25- is bonded in a 8-coordinate geometry to four Ce3+ and four equivalent Sb+2.25- atoms. All Sb–Sb bond lengths are 3.16 Å. In the fourth Sb+2.25- site, Sb+2.25- is bonded in a 8-coordinate geometry to four Ce3+ and four equivalent Sb+2.25- atoms.},
doi = {10.17188/1672290},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}